4-{imidazo[1,2-a]pyridine-6-amido}-N-phenylpiperidine-1-carboxamide

• ChemBase ID: 606748
• Molecular Formular: C20H21N5O2
• Molecular Mass: 363.41304
• Monoisotopic Mass: 363.16952494
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NC1CCN(C(=O)Nc2ccccc2)CC1
• Canonical SMILES: O=C(N1CCC(CC1)NC(=O)c1ccc2n(c1)ccn2)Nc1ccccc1
• InChI: InChI=1S/C20H21N5O2/c26-19(15-6-7-18-21-10-13-25(18)14-15)22-17-8-11-24(12-9-17)20(27)23-16-4-2-1-3-5-16/h1-7,10,13-14,17H,8-9,11-12H2,(H,22,26)(H,23,27)
• InChIKey: LKLZXEZXGNSPKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{imidazo[1,2-a]pyridine-6-amido}-N-phenylpiperidine-1-carboxamide
• IUPAC Traditional name: 4-{imidazo[1,2-a]pyridine-6-amido}-N-phenylpiperidine-1-carboxamide
• Synonyms: N-[1-(anilinocarbonyl)piperidin-4-yl]imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.37824
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.36334717
• LogD (pH = 7.4): 0.9703874
• Log P: 0.99526525
• Molar Refractivity: 104.7656 cm^3
• Polarizability: 38.377583 Å^3
• Polar Surface Area: 78.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.22
• LOG S: -2.89
• Polar Surface Area: 78.74 Å^2
• Rotatable Bonds: 3