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

• ChemBase ID: 828898
• Molecular Formular: C18H24N2O4
• Molecular Mass: 332.39416
• Monoisotopic Mass: 332.17360726
• SMILES: c1(c(=O)n(c(cc1C)C)CC)C(=O)NCC(Cc1occc1)CO
• Canonical SMILES: OCC(Cc1ccco1)CNC(=O)c1c(C)cc(n(c1=O)CC)C
• InChI: InChI=1S/C18H24N2O4/c1-4-20-13(3)8-12(2)16(18(20)23)17(22)19-10-14(11-21)9-15-6-5-7-24-15/h5-8,14,21H,4,9-11H2,1-3H3,(H,19,22)
• InChIKey: PNSYDQAPAMGLGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: 1-ethyl-N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-4,6-dimethyl-2-oxopyridine-3-carboxamide
• Synonyms: 1-ethyl-N-[3-(2-furyl)-2-(hydroxymethyl)propyl]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.841843
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.37864912
• LogD (pH = 7.4): 0.37864953
• Log P: 0.37864956
• Molar Refractivity: 93.3999 cm^3
• Polarizability: 34.823433 Å^3
• Polar Surface Area: 82.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.1
• LOG S: -2.56
• Polar Surface Area: 84.47 Å^2
• Rotatable Bonds: 7