N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)furan-3-carboxamide

• ChemBase ID: 710342
• Molecular Formular: C14H13N3O2
• Molecular Mass: 255.27192
• Monoisotopic Mass: 255.10077667
• SMILES: c12n(cc(n1)CNC(=O)c1cocc1)ccc(c2)C
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)CNC(=O)c1cocc1
• InChI: InChI=1S/C14H13N3O2/c1-10-2-4-17-8-12(16-13(17)6-10)7-15-14(18)11-3-5-19-9-11/h2-6,8-9H,7H2,1H3,(H,15,18)
• InChIKey: CXMXRAXHVULNMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)furan-3-carboxamide
• IUPAC Traditional name: N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)furan-3-carboxamide
• Synonyms: N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.865819
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7386063
• LogD (pH = 7.4): 1.2784287
• Log P: 1.2934777
• Molar Refractivity: 71.5565 cm^3
• Polarizability: 26.201532 Å^3
• Polar Surface Area: 59.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.9
• LOG S: -2.69
• Polar Surface Area: 59.54 Å^2
• Rotatable Bonds: 3