N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(4-methoxyphenoxy)acetamide

• ChemBase ID: 412864
• Molecular Formular: C16H19N3O3
• Molecular Mass: 301.34036
• Monoisotopic Mass: 301.14264148
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)COc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)OCC(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C16H19N3O3/c1-21-12-5-7-13(8-6-12)22-11-16(20)18-15-10-17-14-4-2-3-9-19(14)15/h5-8,10H,2-4,9,11H2,1H3,(H,18,20)
• InChIKey: YWVYELYQYCMFDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.529355
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.89109594
• LogD (pH = 7.4): 1.5303392
• Log P: 1.5593219
• Molar Refractivity: 82.3881 cm^3
• Polarizability: 31.31315 Å^3
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.89
• LOG S: -3.01
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 5