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

• ChemBase ID: 530548
• Molecular Formular: C12H18N2O4
• Molecular Mass: 254.28232
• Monoisotopic Mass: 254.12665707
• SMILES: c1(c(=O)[nH]c(cc1C)C)C(=O)NCCOCCO
• Canonical SMILES: Cc1cc(C)[nH]c(=O)c1C(=O)NCCOCCO
• InChI: InChI=1S/C12H18N2O4/c1-8-7-9(2)14-12(17)10(8)11(16)13-3-5-18-6-4-15/h7,15H,3-6H2,1-2H3,(H,13,16)(H,14,17)
• InChIKey: OCDQCYDEIJRPTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-hydroxyethoxy)ethyl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[2-(2-hydroxyethoxy)ethyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-[2-(2-hydroxyethoxy)ethyl]-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.034855
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.2708063
• LogD (pH = 7.4): -1.2708943
• Log P: -1.2708051
• Molar Refractivity: 68.2754 cm^3
• Polarizability: 25.415436 Å^3
• Polar Surface Area: 87.66 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -1.29
• LOG S: -1.26
• Polar Surface Area: 91.42 Å^2
• Rotatable Bonds: 6