2-amino-5-methylpyridine-3-carboxamide

• ChemBase ID: 292446
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: O=C(N)c1c(N)ncc(C)c1
• Canonical SMILES: Cc1cnc(c(c1)C(=O)N)N
• InChI: InChI=1S/C7H9N3O/c1-4-2-5(7(9)11)6(8)10-3-4/h2-3H,1H3,(H2,8,10)(H2,9,11)
• InChIKey: OZZGFHIDEHLFCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-methylpyridine-3-carboxamide
• IUPAC Traditional name: 2-amino-5-methylpyridine-3-carboxamide
• Synonyms: 2-Amino-5-methylnicotinamide

Database IDs

• CAS Number: 1021871-28-2
• PubChem SID: 180677977
• PubChem CID: 66878280

CALCULATED PROPERTIES

• Acid pKa: 13.900033
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.023608238
• LogD (pH = 7.4): 0.522093
• Log P: 0.5351666
• Molar Refractivity: 43.0346 cm^3
• Polarizability: 15.194089 Å^3
• Polar Surface Area: 82.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%