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

• ChemBase ID: 645381
• Molecular Formular: C16H18N4O2
• Molecular Mass: 298.33972
• Monoisotopic Mass: 298.14297584
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CNC(=O)c1ccccc1
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)CNC(=O)c1ccccc1
• InChI: InChI=1S/C16H18N4O2/c21-15(11-18-16(22)12-6-2-1-3-7-12)19-14-10-17-13-8-4-5-9-20(13)14/h1-3,6-7,10H,4-5,8-9,11H2,(H,18,22)(H,19,21)
• InChIKey: WEGQKCNGEGKEHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(phenylformamido)acetamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(phenylformamido)acetamide
• Synonyms: N-[2-oxo-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylamino)ethyl]benzamide (non-preferred name)

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.368616
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.27467495
• LogD (pH = 7.4): 0.91924125
• Log P: 0.9489808
• Molar Refractivity: 83.4368 cm^3
• Polarizability: 30.950872 Å^3
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.06
• LOG S: -2.28
• Polar Surface Area: 76.02 Å^2
• Rotatable Bonds: 4