1453-82-3,MFCD00006432
Catalog No.:AA001KP0

1453-82-3 | Isonicotinamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
≥98%
in stock  
$16.00   $11.00
- +
100g
95%
in stock  
$50.00   $35.00
- +
250g
95%
in stock  
$107.00   $75.00
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500g
>99.0%(T)(HPLC)
in stock  
$204.00   $143.00
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  • Technical Information
  • Properties
  • Literature
  • Application
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Technical Information
Catalog Number:
AA001KP0
Chemical Name:
Isonicotinamide
CAS Number:
1453-82-3
Molecular Formula:
C6H6N2O
Molecular Weight:
122.1246
MDL Number:
MFCD00006432
SMILES:
NC(=O)c1ccncc1
NSC Number:
82353
Properties
Properties
 
BP:
334.4 °C at 760 mmHg  
Form:
Solid  
MP:
155-157 °C  
Refractive Index:
1.5350 (estimate)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
108  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-0.3  

Literature

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Title: Unusual co-crystal of isonicotinamide: the structural landscape in crystal engineering.

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Title: Isonicotinamide enhances Sir2 protein-mediated silencing and longevity in yeast by raising intracellular NAD+ concentration.

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Title: Isonicotinamide self-association: the link between solvent and polymorph nucleation.

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Title: Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions.

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Title: Bis(isonicotinamide-κN)bis-(4-methyl-benzoato-κO)copper(II) dihydrate.

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Title: Bis(isonicotinamide-κN)bis-[4-(methyl-amino)benzoato]zinc(II) monohydrate.

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Application
Isonicotinamide, also known as pyridine-4-carboxamide, is a versatile compound widely employed in organic synthesis and pharmaceutical research. Its unique structural features make it a valuable heterocyclic building block for the synthesis of various biologically active molecules.

One prominent application of isonicotinamide is its role as a precursor in the synthesis of 4-oxo-1,3-thiazinan-3-yl isonicotinamide derivatives. These derivatives show promise as potential anti-tubercular agents, contributing to the ongoing efforts in combating tuberculosis, a significant global health concern.

Moreover, isonicotinamide serves as a key component in the formation of organotin(IV) complexes through the synthesis of phosphoramidate ligands. These complexes are studied extensively for their diverse biological activities, paving the way for the exploration of novel therapeutic agents.

Additionally, isonicotinamide is utilized in the preparation of bis-pyridinium derivatives, specifically derivatives of 2-(hydroxyimino)-N-(pyridin-3-yl)acetamide. These derivatives exhibit potent reactivating properties against sarin poisoning, offering potential treatments for nerve agent exposure.

Furthermore, isonicotinamide finds application as a co-former with active pharmaceutical ingredients (APIs) in the preparation of co-crystals. Co-crystals play a crucial role in enhancing the solubility, stability, and bioavailability of APIs, thereby improving the efficacy of pharmaceutical formulations.
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Tags:1453-82-3 Molecular Formula|1453-82-3 MDL|1453-82-3 SMILES|1453-82-3 Isonicotinamide
Catalog No.: AA001KP0
1453-82-3,MFCD00006432
1453-82-3 | Isonicotinamide
Pack Size: 25g
Purity: ≥98%
in stock
$16.00 $11.00
Pack Size: 100g
Purity: 95%
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$50.00 $35.00
Pack Size: 250g
Purity: 95%
in stock
$107.00 $75.00
Pack Size: 500g
Purity: >99.0%(T)(HPLC)
in stock
$204.00 $143.00
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Technical Information
Catalog Number: AA001KP0
Chemical Name: Isonicotinamide
CAS Number: 1453-82-3
Molecular Formula: C6H6N2O
Molecular Weight: 122.1246
MDL Number: MFCD00006432
SMILES: NC(=O)c1ccncc1
NSC Number: 82353
Properties
BP: 334.4 °C at 760 mmHg  
Form: Solid  
MP: 155-157 °C  
Refractive Index: 1.5350 (estimate)  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 108  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -0.3  
Literature fold

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Title: A high-yielding supramolecular reaction.

Journal: Journal of the American Chemical Society20021204

Title: (Acetonitrile)[2,6-bis(pyrazol-1-yl)pyridine](isonicotinamide)copper(II)-tetrafluoroborate-acetonitrile (1/2/2).

Journal: Acta crystallographica. Section C, Crystal structure communications20021101

Title: Variation in the coordination mode of arenedisulfonates: syntheses and structural characterization of mononuclear and dinuclear cadmium(II) arenedisulfonate complexes with two- to zero-dimensional architectures.

Journal: Inorganic chemistry20020923

Title: Validation of a RP-LC method for the simultaneous determination of isoniazid, pyrazinamide and rifampicin in a pharmaceutical formulation.

Journal: Journal of pharmaceutical and biomedical analysis20020801

Title: Cooperative ligation, back-bonding, and possible pyridine-pyridine interactions in tetrapyridine-vanadium(II): a visible and X-ray spectroscopic study.

Journal: Inorganic chemistry20020617

Title: Kinetics and mechanism of ligand interchange in pentacyano-L-osmate(II) complexes (L = H(2)O, NH(3), N-heterocyclic ligands).

Journal: Inorganic chemistry20020114

Title: Peptidergic innervation of blood vessels and interstitial cells in the testis of the cat.

Journal: Journal of andrology20020101

Title: Copper complexes with bioactive ligands. Part II--Antifungal activity.

Journal: Folia microbiologica20020101

Title: Self-assembly of polymer and sheet structures from palladium(II) complexes by hydrogen bonding between carboxamide substituents.

Journal: Inorganic chemistry20011119

Title: Thoracic splanchnic nerves: implications for splanchnic denervation.

Journal: Journal of anatomy20011101

Title: Inhibition of cancer cell growth by ruthenium(II) arene complexes.

Journal: Journal of medicinal chemistry20011025

Title: 4-Cyanopyridine and amide-N and amide-O linkage isomers of 4-pyridinecarboxamide on trans-chloro(1,4,8,11-tetraazacyclotetradecane)ruthenium(II/III).

Journal: Inorganic chemistry20011008

Title: Oxidation of [Ru(NH3)5isn](BF4)2 by hyochlorous acid and chlorine in aqueous acidic media.

Journal: Inorganic chemistry20010924

Title: Pathfinding by sensory axons in Drosophila: substrates and choice points in early lch5 axon outgrowth.

Journal: Journal of neurobiology20010915

Title: Intervention of the Renal Disaster Relief Task Force in the 1999 Marmara, Turkey earthquake.

Journal: Kidney international20010201

Title: [DNA character of the cholesteatoma].

Journal: Lin chuang er bi yan hou ke za zhi = Journal of clinical otorhinolaryngology20010201

Title: Single-cell analysis of Drosophila larval neuromuscular synapses.

Journal: Developmental biology20010101

Title: Molecularly imprinted polymers from nicotinamide and its positional isomers.

Journal: Journal of molecular recognition : JMR20010101

Title: Copper complexes with bioactive ligands Part I--Antimicrobial activity.

Journal: Folia microbiologica20010101

Application fold
Isonicotinamide, also known as pyridine-4-carboxamide, is a versatile compound widely employed in organic synthesis and pharmaceutical research. Its unique structural features make it a valuable heterocyclic building block for the synthesis of various biologically active molecules.

One prominent application of isonicotinamide is its role as a precursor in the synthesis of 4-oxo-1,3-thiazinan-3-yl isonicotinamide derivatives. These derivatives show promise as potential anti-tubercular agents, contributing to the ongoing efforts in combating tuberculosis, a significant global health concern.

Moreover, isonicotinamide serves as a key component in the formation of organotin(IV) complexes through the synthesis of phosphoramidate ligands. These complexes are studied extensively for their diverse biological activities, paving the way for the exploration of novel therapeutic agents.

Additionally, isonicotinamide is utilized in the preparation of bis-pyridinium derivatives, specifically derivatives of 2-(hydroxyimino)-N-(pyridin-3-yl)acetamide. These derivatives exhibit potent reactivating properties against sarin poisoning, offering potential treatments for nerve agent exposure.

Furthermore, isonicotinamide finds application as a co-former with active pharmaceutical ingredients (APIs) in the preparation of co-crystals. Co-crystals play a crucial role in enhancing the solubility, stability, and bioavailability of APIs, thereby improving the efficacy of pharmaceutical formulations.
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