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

• ChemBase ID: 551886
• Molecular Formular: C15H18N4O
• Molecular Mass: 270.32962
• Monoisotopic Mass: 270.14806122
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)CCc1cnccc1
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)CCc1cccnc1
• InChI: InChI=1S/C15H18N4O/c20-15(7-6-12-4-3-8-16-10-12)18-14-11-17-13-5-1-2-9-19(13)14/h3-4,8,10-11H,1-2,5-7,9H2,(H,18,20)
• InChIKey: OPWAAAGKYFAOPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.824656
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.48797885
• LogD (pH = 7.4): 1.2293432
• Log P: 1.2613256
• Molar Refractivity: 77.1288 cm^3
• Polarizability: 29.041727 Å^3
• Polar Surface Area: 59.81 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: 0.97
• LOG S: -0.7
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 4