N-(2-ethoxyethyl)-1-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide

• ChemBase ID: 333586
• Molecular Formular: C12H18N2O3
• Molecular Mass: 238.28292
• Monoisotopic Mass: 238.13174245
• SMILES: c1(=O)cc(C(=O)NCCOCC)ccn1CC
• Canonical SMILES: CCOCCNC(=O)c1ccn(c(=O)c1)CC
• InChI: InChI=1S/C12H18N2O3/c1-3-14-7-5-10(9-11(14)15)12(16)13-6-8-17-4-2/h5,7,9H,3-4,6,8H2,1-2H3,(H,13,16)
• InChIKey: OUAUNCYETQLZGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-ethoxyethyl)-1-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide
• IUPAC Traditional name: N-(2-ethoxyethyl)-1-ethyl-2-oxopyridine-4-carboxamide
• Synonyms: N-(2-ethoxyethyl)-1-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.536428
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.24103473
• LogD (pH = 7.4): -0.24103431
• Log P: -0.24103431
• Molar Refractivity: 66.2008 cm^3
• Polarizability: 24.756166 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: -0.34
• LOG S: -1.96
• Polar Surface Area: 60.33 Å^2
• Rotatable Bonds: 6