5,6-dimethyl-2-oxo-N-[2-(2-propoxyphenyl)ethyl]-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 375378
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: c1(c(=O)[nH]c(c(c1)C)C)C(=O)NCCc1c(OCCC)cccc1
• Canonical SMILES: CCCOc1ccccc1CCNC(=O)c1cc(C)c([nH]c1=O)C
• InChI: InChI=1S/C19H24N2O3/c1-4-11-24-17-8-6-5-7-15(17)9-10-20-18(22)16-12-13(2)14(3)21-19(16)23/h5-8,12H,4,9-11H2,1-3H3,(H,20,22)(H,21,23)
• InChIKey: AUYSAZXIHSNXRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,6-dimethyl-2-oxo-N-[2-(2-propoxyphenyl)ethyl]-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: 5,6-dimethyl-2-oxo-N-[2-(2-propoxyphenyl)ethyl]-1H-pyridine-3-carboxamide
• Synonyms: 5,6-dimethyl-2-oxo-N-[2-(2-propoxyphenyl)ethyl]-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.003585
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2010646
• LogD (pH = 7.4): 2.20097
• Log P: 2.2010658
• Molar Refractivity: 96.043 cm^3
• Polarizability: 36.147606 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.46
• LOG S: -3.7
• Polar Surface Area: 71.19 Å^2
• Rotatable Bonds: 7