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

• ChemBase ID: 480833
• Molecular Formular: C16H19N3O2
• Molecular Mass: 285.34096
• Monoisotopic Mass: 285.14772686
• SMILES: c1(c(=O)n(c(cc1C)C)CC)C(=O)NCc1ncccc1
• Canonical SMILES: CCn1c(C)cc(c(c1=O)C(=O)NCc1ccccn1)C
• InChI: InChI=1S/C16H19N3O2/c1-4-19-12(3)9-11(2)14(16(19)21)15(20)18-10-13-7-5-6-8-17-13/h5-9H,4,10H2,1-3H3,(H,18,20)
• InChIKey: LNUJXPVJPBJVFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.494269
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.61705923
• LogD (pH = 7.4): 0.63479745
• Log P: 0.635029
• Molar Refractivity: 82.5184 cm^3
• Polarizability: 30.89006 Å^3
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.77
• LOG S: -0.64
• Polar Surface Area: 63.99 Å^2
• Rotatable Bonds: 4