N-[(2-ethoxyphenyl)methyl]-4,6-dimethyl-2-oxo-N-(prop-2-en-1-yl)-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 608661
• Molecular Formular: C20H24N2O3
• Molecular Mass: 340.41616
• Monoisotopic Mass: 340.17869264
• SMILES: c1(c(=O)[nH]c(cc1C)C)C(=O)N(Cc1c(OCC)cccc1)CC=C
• Canonical SMILES: C=CCN(C(=O)c1c(C)cc([nH]c1=O)C)Cc1ccccc1OCC
• InChI: InChI=1S/C20H24N2O3/c1-5-11-22(13-16-9-7-8-10-17(16)25-6-2)20(24)18-14(3)12-15(4)21-19(18)23/h5,7-10,12H,1,6,11,13H2,2-4H3,(H,21,23)
• InChIKey: LPXWHHGQZSVPPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-ethoxyphenyl)methyl]-4,6-dimethyl-2-oxo-N-(prop-2-en-1-yl)-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[(2-ethoxyphenyl)methyl]-4,6-dimethyl-2-oxo-N-(prop-2-en-1-yl)-1H-pyridine-3-carboxamide
• Synonyms: N-allyl-N-(2-ethoxybenzyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.033783
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.3448067
• LogD (pH = 7.4): 2.3447187
• Log P: 2.344808
• Molar Refractivity: 100.8234 cm^3
• Polarizability: 37.74579 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.79
• LOG S: -4.07
• Polar Surface Area: 62.4 Å^2
• Rotatable Bonds: 7