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

• ChemBase ID: 575816
• Molecular Formular: C15H18N4O2
• Molecular Mass: 286.32902
• Monoisotopic Mass: 286.14297584
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CCn1c(=O)cccc1
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)CCn1ccccc1=O
• InChI: InChI=1S/C15H18N4O2/c20-14(7-10-18-8-3-2-6-15(18)21)17-13-11-16-12-5-1-4-9-19(12)13/h2-3,6,8,11H,1,4-5,7,9-10H2,(H,17,20)
• InChIKey: ZAYAITJSGUBVFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.798399
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.30209234
• LogD (pH = 7.4): 0.34835815
• Log P: 0.3789693
• Molar Refractivity: 81.0451 cm^3
• Polarizability: 29.576105 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.17
• LOG S: -2.74
• Polar Surface Area: 68.92 Å^2
• Rotatable Bonds: 4