N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(2-methoxyphenyl)acetamide

• ChemBase ID: 735864
• Molecular Formular: C16H19N3O2
• Molecular Mass: 285.34096
• Monoisotopic Mass: 285.14772686
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)Cc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1CC(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C16H19N3O2/c1-21-13-7-3-2-6-12(13)10-16(20)18-15-11-17-14-8-4-5-9-19(14)15/h2-3,6-7,11H,4-5,8-10H2,1H3,(H,18,20)
• InChIKey: VHRWOGZWRQERGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(2-methoxyphenyl)acetamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(2-methoxyphenyl)acetamide
• Synonyms: 2-(2-methoxyphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.704222
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1972978
• LogD (pH = 7.4): 1.8463563
• Log P: 1.8767581
• Molar Refractivity: 81.1479 cm^3
• Polarizability: 30.61644 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.72
• LOG S: -2.75
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 4