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

• ChemBase ID: 704101
• Molecular Formular: C16H19N3O2
• Molecular Mass: 285.34096
• Monoisotopic Mass: 285.14772686
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CCOc1ccccc1
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)CCOc1ccccc1
• InChI: InChI=1S/C16H19N3O2/c20-16(9-11-21-13-6-2-1-3-7-13)18-15-12-17-14-8-4-5-10-19(14)15/h1-3,6-7,12H,4-5,8-11H2,(H,18,20)
• InChIKey: HVEBKPBDXCGCNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Log P: 1.954006
• Molar Refractivity: 80.6243 cm^3
• Polarizability: 30.62004 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 13.771448
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2733294
• LogD (pH = 7.4): 1.9234452

供应商提供(Chembridge)

• Log P: 2.19
• LOG S: -3.15
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 1