4-[(1,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)formamido]-N,4-dimethylpentanamide

• ChemBase ID: 586056
• Molecular Formular: C15H23N3O3
• Molecular Mass: 293.36142
• Monoisotopic Mass: 293.17394161
• SMILES: c1(c(=O)n(c(cc1)C)C)C(=O)NC(CCC(=O)NC)(C)C
• Canonical SMILES: CNC(=O)CCC(NC(=O)c1ccc(n(c1=O)C)C)(C)C
• InChI: InChI=1S/C15H23N3O3/c1-10-6-7-11(14(21)18(10)5)13(20)17-15(2,3)9-8-12(19)16-4/h6-7H,8-9H2,1-5H3,(H,16,19)(H,17,20)
• InChIKey: NMOYLCROYCKSBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)formamido]-N,4-dimethylpentanamide
• IUPAC Traditional name: 4-[(1,6-dimethyl-2-oxopyridin-3-yl)formamido]-N,4-dimethylpentanamide
• Synonyms: N-[1,1-dimethyl-4-(methylamino)-4-oxobutyl]-1,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.11598
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.43587086
• LogD (pH = 7.4): -0.4358704
• Log P: -0.43587038
• Molar Refractivity: 82.8692 cm^3
• Polarizability: 30.796833 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -0.87
• LOG S: -1.91
• Polar Surface Area: 80.2 Å^2
• Rotatable Bonds: 5