6-amino-N-methylpyridine-2-carboxamide

• ChemBase ID: 276029
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: n1c(C(=O)NC)cccc1N
• Canonical SMILES: CNC(=O)c1cccc(n1)N
• InChI: InChI=1S/C7H9N3O/c1-9-7(11)5-3-2-4-6(8)10-5/h2-4H,1H3,(H2,8,10)(H,9,11)
• InChIKey: WAKIEWSGUFDZRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-amino-N-methylpyridine-2-carboxamide
• IUPAC Traditional name: 6-amino-N-methylpyridine-2-carboxamide
• Synonyms: 6-amino-N-methylpyridine-2-carboxamide

Database IDs

• MDL Number: MFCD16698078
• PubChem SID: 164331939
• PubChem CID: 54593975

CALCULATED PROPERTIES

• Polarizability: 15.272142 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 14.64386
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.019714192
• LogD (pH = 7.4): -0.018740818
• Log P: -0.01872835
• Molar Refractivity: 42.5181 cm^3

PROPERTIES

Physical Property

• Melting Point: 102 - 104°C
• Hydrophobicity(logP): 0.176

Product Information

• Purity: 95%