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

• ChemBase ID: 861577
• Molecular Formular: C16H18N4O3
• Molecular Mass: 314.33912
• Monoisotopic Mass: 314.13789046
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1cc(OCC(=O)N)ccc1
• Canonical SMILES: NC(=O)COc1cccc(c1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C16H18N4O3/c17-13(21)10-23-12-5-3-4-11(8-12)16(22)19-15-9-18-14-6-1-2-7-20(14)15/h3-5,8-9H,1-2,6-7,10H2,(H2,17,21)(H,19,22)
• InChIKey: VVYNFESFQAHFCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.437279
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.09812325
• LogD (pH = 7.4): 0.53895235
• Log P: 0.56763345
• Molar Refractivity: 85.0033 cm^3
• Polarizability: 31.84273 Å^3
• Polar Surface Area: 99.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.54
• LOG S: -1.95
• Polar Surface Area: 99.24 Å^2
• Rotatable Bonds: 5