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

• ChemBase ID: 599646
• Molecular Formular: C16H19N3O
• Molecular Mass: 269.34156
• Monoisotopic Mass: 269.15281224
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C(c1ccccc1)C
• Canonical SMILES: O=C(C(c1ccccc1)C)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C16H19N3O/c1-12(13-7-3-2-4-8-13)16(20)18-15-11-17-14-9-5-6-10-19(14)15/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,18,20)
• InChIKey: ZZUWCWYQECEPPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.624189
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8993837
• LogD (pH = 7.4): 2.5471992
• Log P: 2.5774157
• Molar Refractivity: 79.2592 cm^3
• Polarizability: 29.935524 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.15
• LOG S: -3.0
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 3