4,6-dimethyl-N-{2-[methyl(phenyl)amino]propyl}-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 705059
• Molecular Formular: C18H23N3O2
• Molecular Mass: 313.39412
• Monoisotopic Mass: 313.17902699
• SMILES: c1(c(=O)[nH]c(cc1C)C)C(=O)NCC(N(c1ccccc1)C)C
• Canonical SMILES: CC(N(c1ccccc1)C)CNC(=O)c1c(C)cc([nH]c1=O)C
• InChI: InChI=1S/C18H23N3O2/c1-12-10-13(2)20-18(23)16(12)17(22)19-11-14(3)21(4)15-8-6-5-7-9-15/h5-10,14H,11H2,1-4H3,(H,19,22)(H,20,23)
• InChIKey: BFQWFPNLSJIPES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethyl-N-{2-[methyl(phenyl)amino]propyl}-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: 4,6-dimethyl-N-{2-[methyl(phenyl)amino]propyl}-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: 4,6-dimethyl-N-{2-[methyl(phenyl)amino]propyl}-2-oxo-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.034919
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7489672
• LogD (pH = 7.4): 1.7919453
• Log P: 1.7926122
• Molar Refractivity: 93.876 cm^3
• Polarizability: 34.77185 Å^3
• Polar Surface Area: 61.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.88
• LOG S: -3.09
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 5