1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxamide

• ChemBase ID: 120121
• Molecular Formular: C7H10N4O
• Molecular Mass: 166.1805
• Monoisotopic Mass: 166.08546096
• SMILES: c12c(nc[nH]2)CNC(C1)C(=O)N
• Canonical SMILES: NC(=O)C1Cc2c(CN1)nc[nH]2
• InChI: InChI=1S/C7H10N4O/c8-7(12)5-1-4-6(2-9-5)11-3-10-4/h3,5,9H,1-2H2,(H2,8,12)(H,10,11)
• InChIKey: PKHMCXYXGDYUJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxamide
• IUPAC Traditional name: 1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxamide
• Synonyms: 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxamide; 1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxamide

Database IDs

• MDL Number: MFCD17430321
• PubChem SID: 162214474
• PubChem CID: 14859063

CALCULATED PROPERTIES

• Acid pKa: 12.436065
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.082209
• LogD (pH = 7.4): -1.9661185
• Log P: -1.8912183
• Molar Refractivity: 42.6882 cm^3
• Polarizability: 16.546661 Å^3
• Polar Surface Area: 83.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 249 - 251°C
• Hydrophobicity(logP): -2.19

Product Information

• Purity: 95%
• Classification: Genuine Natural Compounds