N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}pyridine-4-carboxamide

• ChemBase ID: 631151
• Molecular Formular: C13H14N4O
• Molecular Mass: 242.27646
• Monoisotopic Mass: 242.11676109
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1ccncc1
• Canonical SMILES: O=C(c1ccncc1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C13H14N4O/c18-13(10-4-6-14-7-5-10)16-12-9-15-11-3-1-2-8-17(11)12/h4-7,9H,1-3,8H2,(H,16,18)
• InChIKey: XVQJNUQHNWZGPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): 0.17063592
• LogD (pH = 7.4): 0.807906
• Log P: 0.8365916
• Molar Refractivity: 68.4764 cm^3
• Polarizability: 25.344547 Å^3
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 13.196159
• H Acceptors: 3
• H Donor: 1

供应商提供(Chembridge)

• Log P: 0.55
• LOG S: -1.44
• Polar Surface Area: 59.81 Å^2
• Rotatable Bonds: 2
• H Acceptors: 3
• H Donor: 1