4-aminopyridine-2-carboxamide

• ChemBase ID: 269075
• Molecular Formular: C6H7N3O
• Molecular Mass: 137.13928
• Monoisotopic Mass: 137.05891186
• SMILES: C(=O)(c1cc(N)ccn1)N
• Canonical SMILES: Nc1ccnc(c1)C(=O)N
• InChI: InChI=1S/C6H7N3O/c7-4-1-2-9-5(3-4)6(8)10/h1-3H,(H2,7,9)(H2,8,10)
• InChIKey: QKNCZYUYGMWQPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-aminopyridine-2-carboxamide
• IUPAC Traditional name: 4-aminopyridine-2-carboxamide
• Synonyms: 4-aminopyridine-2-carboxamide

Database IDs

• MDL Number: MFCD08062892
• PubChem SID: 164324985
• PubChem CID: 23131262

CALCULATED PROPERTIES

• Acid pKa: 14.158422
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.9514158
• LogD (pH = 7.4): -0.83853716
• Log P: -0.83686197
• Molar Refractivity: 37.3079 cm^3
• Polarizability: 13.438123 Å^3
• Polar Surface Area: 82.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.138

Product Information

• Purity: 95%