2-[3-(2-methoxybenzoyl)piperidin-1-yl]pyridine-3-carboxamide

• ChemBase ID: 600664
• Molecular Formular: C19H21N3O3
• Molecular Mass: 339.38834
• Monoisotopic Mass: 339.15829155
• SMILES: c1(N2CC(C(=O)c3c(OC)cccc3)CCC2)c(C(=O)N)cccn1
• Canonical SMILES: COc1ccccc1C(=O)C1CCCN(C1)c1ncccc1C(=O)N
• InChI: InChI=1S/C19H21N3O3/c1-25-16-9-3-2-7-14(16)17(23)13-6-5-11-22(12-13)19-15(18(20)24)8-4-10-21-19/h2-4,7-10,13H,5-6,11-12H2,1H3,(H2,20,24)
• InChIKey: IWCYCHZWQSKCRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(2-methoxybenzoyl)piperidin-1-yl]pyridine-3-carboxamide
• IUPAC Traditional name: 2-[3-(2-methoxybenzoyl)piperidin-1-yl]pyridine-3-carboxamide
• Synonyms: 2-[3-(2-methoxybenzoyl)piperidin-1-yl]nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.6899
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.0161183
• LogD (pH = 7.4): 2.1325767
• Log P: 2.134301
• Molar Refractivity: 96.2298 cm^3
• Polarizability: 35.8996 Å^3
• Polar Surface Area: 85.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.96
• LOG S: -3.35
• Polar Surface Area: 85.52 Å^2
• Rotatable Bonds: 5