4-acetamido-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}butanamide

• ChemBase ID: 751009
• Molecular Formular: C13H20N4O2
• Molecular Mass: 264.3235
• Monoisotopic Mass: 264.1586259
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CCCNC(=O)C
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)CCCNC(=O)C
• InChI: InChI=1S/C13H20N4O2/c1-10(18)14-7-4-6-13(19)16-12-9-15-11-5-2-3-8-17(11)12/h9H,2-8H2,1H3,(H,14,18)(H,16,19)
• InChIKey: SSMFEXBYDNYVSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-acetamido-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}butanamide
• IUPAC Traditional name: 4-acetamido-N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}butanamide
• Synonyms: 4-(acetylamino)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.8231125
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0610636
• LogD (pH = 7.4): -0.41019422
• Log P: -0.3795197
• Molar Refractivity: 72.2207 cm^3
• Polarizability: 27.120222 Å^3
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.47
• LOG S: -2.04
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 5