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

• ChemBase ID: 767993
• Molecular Formular: C17H21N3O2
• Molecular Mass: 299.36754
• Monoisotopic Mass: 299.16337693
• SMILES: c1(c(=O)n(c(cc1C)C)CC)C(=O)NCCc1ncccc1
• Canonical SMILES: CCn1c(C)cc(c(c1=O)C(=O)NCCc1ccccn1)C
• InChI: InChI=1S/C17H21N3O2/c1-4-20-13(3)11-12(2)15(17(20)22)16(21)19-10-8-14-7-5-6-9-18-14/h5-7,9,11H,4,8,10H2,1-3H3,(H,19,21)
• InChIKey: HWURRTNGOXZCHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.176151
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8280448
• LogD (pH = 7.4): 0.871457
• Log P: 0.87204176
• Molar Refractivity: 87.2178 cm^3
• Polarizability: 32.731945 Å^3
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.87
• LOG S: -0.83
• Polar Surface Area: 63.99 Å^2
• Rotatable Bonds: 5