1-(2-methoxyethyl)-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-6-oxopiperidine-3-carboxamide

• ChemBase ID: 461017
• Molecular Formular: C18H24N4O3
• Molecular Mass: 344.40816
• Monoisotopic Mass: 344.18484065
• SMILES: n12c(nc(c1)CNC(=O)C1CN(C(=O)CC1)CCOC)ccc(c2)C
• Canonical SMILES: COCCN1CC(CCC1=O)C(=O)NCc1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C18H24N4O3/c1-13-3-5-16-20-15(12-22(16)10-13)9-19-18(24)14-4-6-17(23)21(11-14)7-8-25-2/h3,5,10,12,14H,4,6-9,11H2,1-2H3,(H,19,24)
• InChIKey: XYZCBSOTFLWZEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyethyl)-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-6-oxopiperidine-3-carboxamide
• IUPAC Traditional name: 1-(2-methoxyethyl)-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-6-oxopiperidine-3-carboxamide
• Synonyms: 1-(2-methoxyethyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-6-oxo-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.15373
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.79543895
• LogD (pH = 7.4): -0.08455183
• Log P: -0.057284646
• Molar Refractivity: 94.6139 cm^3
• Polarizability: 35.87182 Å^3
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.72
• LOG S: -2.59
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 5