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

• ChemBase ID: 416452
• Molecular Formular: C13H20N2O4
• Molecular Mass: 268.3089
• Monoisotopic Mass: 268.14230713
• SMILES: c1(c(=O)n(c(c(c1)C)C)C)C(=O)NCCOCCO
• Canonical SMILES: OCCOCCNC(=O)c1cc(C)c(n(c1=O)C)C
• InChI: InChI=1S/C13H20N2O4/c1-9-8-11(13(18)15(3)10(9)2)12(17)14-4-6-19-7-5-16/h8,16H,4-7H2,1-3H3,(H,14,17)
• InChIKey: VJYHLTQJWFAFCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-hydroxyethoxy)ethyl]-1,5,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[2-(2-hydroxyethoxy)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide
• Synonyms: N-[2-(2-hydroxyethoxy)ethyl]-1,5,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.868245
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.0471293
• LogD (pH = 7.4): -1.047129
• Log P: -1.047129
• Molar Refractivity: 73.1721 cm^3
• Polarizability: 27.24492 Å^3
• Polar Surface Area: 78.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.94
• LOG S: -1.67
• Polar Surface Area: 80.56 Å^2
• Rotatable Bonds: 6