N-[1-(3-cyanopyridin-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 344572
• Molecular Formular: C19H18N6O
• Molecular Mass: 346.38582
• Monoisotopic Mass: 346.15420923
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NC1CCN(c2c(C#N)cccn2)CC1
• Canonical SMILES: N#Cc1cccnc1N1CCC(CC1)NC(=O)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C19H18N6O/c20-12-14-2-1-7-22-18(14)24-9-5-16(6-10-24)23-19(26)15-3-4-17-21-8-11-25(17)13-15/h1-4,7-8,11,13,16H,5-6,9-10H2,(H,23,26)
• InChIKey: QIQACZLYWNBUKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3-cyanopyridin-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[1-(3-cyanopyridin-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[1-(3-cyanopyridin-2-yl)piperidin-4-yl]imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.376436
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.3518272
• LogD (pH = 7.4): 0.95978427
• Log P: 0.98467344
• Molar Refractivity: 99.7393 cm^3
• Polarizability: 36.279568 Å^3
• Polar Surface Area: 86.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.13
• LOG S: -2.96
• Polar Surface Area: 86.32 Å^2
• Rotatable Bonds: 3