N-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 240402
• Molecular Formular: C9H9N3O
• Molecular Mass: 175.18726
• Monoisotopic Mass: 175.07456192
• SMILES: c1(nc2n(c1)cccc2)C(=O)NC
• Canonical SMILES: CNC(=O)c1nc2n(c1)cccc2
• InChI: InChI=1S/C9H9N3O/c1-10-9(13)7-6-12-5-3-2-4-8(12)11-7/h2-6H,1H3,(H,10,13)
• InChIKey: SWGBRJFKVPDUQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-methylimidazo[1,2-a]pyridine-2-carboxamide

Database IDs

• MDL Number: MFCD19596530
• PubChem SID: 164296312
• PubChem CID: 60699304

CALCULATED PROPERTIES

• Acid pKa: 14.5893955
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.2151357
• LogD (pH = 7.4): 0.21965806
• Log P: 0.21971612
• Molar Refractivity: 49.5395 cm^3
• Polarizability: 17.980055 Å^3
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.209

Product Information

• Purity: 95%