2-(methylamino)pyridine-3-carboxamide

• ChemBase ID: 277943
• Molecular Formular: C7H9N3O
• Molecular Mass: 151.16586
• Monoisotopic Mass: 151.07456192
• SMILES: c1(C(=O)N)c(nccc1)NC
• Canonical SMILES: CNc1ncccc1C(=O)N
• InChI: InChI=1S/C7H9N3O/c1-9-7-5(6(8)11)3-2-4-10-7/h2-4H,1H3,(H2,8,11)(H,9,10)
• InChIKey: DVBVURADALKRQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)pyridine-3-carboxamide
• IUPAC Traditional name: 2-(methylamino)pyridine-3-carboxamide
• Synonyms: 2-(methylamino)pyridine-3-carboxamide

Database IDs

• MDL Number: MFCD11052030
• PubChem SID: 164333853
• PubChem CID: 13466149

CALCULATED PROPERTIES

• Acid pKa: 13.79911
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.096979156
• LogD (pH = 7.4): 0.31963733
• Log P: 0.32344934
• Molar Refractivity: 43.4868 cm^3
• Polarizability: 15.267904 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 181 - 183°C
• Hydrophobicity(logP): 0.719

Product Information

• Purity: 95%