4,6-dimethyl-2-oxo-N-[2-(pyridin-4-yl)ethyl]-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 362951
• Molecular Formular: C15H17N3O2
• Molecular Mass: 271.31438
• Monoisotopic Mass: 271.1320768
• SMILES: c1(c(=O)[nH]c(cc1C)C)C(=O)NCCc1ccncc1
• Canonical SMILES: O=C(c1c(C)cc([nH]c1=O)C)NCCc1ccncc1
• InChI: InChI=1S/C15H17N3O2/c1-10-9-11(2)18-15(20)13(10)14(19)17-8-5-12-3-6-16-7-4-12/h3-4,6-7,9H,5,8H2,1-2H3,(H,17,19)(H,18,20)
• InChIKey: GMBWERBVXGONPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethyl-2-oxo-N-[2-(pyridin-4-yl)ethyl]-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: 4,6-dimethyl-2-oxo-N-[2-(pyridin-4-yl)ethyl]-1H-pyridine-3-carboxamide
• Synonyms: 4,6-dimethyl-2-oxo-N-[2-(4-pyridinyl)ethyl]-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.034905
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.14543808
• LogD (pH = 7.4): 0.25990894
• Log P: 0.2617343
• Molar Refractivity: 78.1503 cm^3
• Polarizability: 29.051348 Å^3
• Polar Surface Area: 71.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.01
• LOG S: -1.18
• Polar Surface Area: 74.85 Å^2
• Rotatable Bonds: 4