N-{3-[({5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}carbamoyl)methoxy]phenyl}propanamide

• ChemBase ID: 497803
• Molecular Formular: C18H22N4O3
• Molecular Mass: 342.39228
• Monoisotopic Mass: 342.16919058
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)COc1cc(NC(=O)CC)ccc1
• Canonical SMILES: CCC(=O)Nc1cccc(c1)OCC(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C18H22N4O3/c1-2-17(23)20-13-6-5-7-14(10-13)25-12-18(24)21-16-11-19-15-8-3-4-9-22(15)16/h5-7,10-11H,2-4,8-9,12H2,1H3,(H,20,23)(H,21,24)
• InChIKey: NTFWKEBPHNATET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.506234
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.9870134
• LogD (pH = 7.4): 1.6262566
• Log P: 1.6552393
• Molar Refractivity: 95.4148 cm^3
• Polarizability: 35.523308 Å^3
• Polar Surface Area: 85.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.57
• LOG S: -3.04
• Polar Surface Area: 85.25 Å^2
• Rotatable Bonds: 6