2-ethyl-1-[(2-methoxyphenyl)methyl]-6-methyl-N-[3-(morpholin-4-yl)propyl]-4-oxo-1,4-dihydropyridine-3-carboxamide

• ChemBase ID: 712759
• Molecular Formular: C24H33N3O4
• Molecular Mass: 427.53652
• Monoisotopic Mass: 427.24710655
• SMILES: c1(c(n(c(cc1=O)C)Cc1c(OC)cccc1)CC)C(=O)NCCCN1CCOCC1
• Canonical SMILES: CCc1c(C(=O)NCCCN2CCOCC2)c(=O)cc(n1Cc1ccccc1OC)C
• InChI: InChI=1S/C24H33N3O4/c1-4-20-23(24(29)25-10-7-11-26-12-14-31-15-13-26)21(28)16-18(2)27(20)17-19-8-5-6-9-22(19)30-3/h5-6,8-9,16H,4,7,10-15,17H2,1-3H3,(H,25,29)
• InChIKey: QODRJCBOHYOHHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-1-[(2-methoxyphenyl)methyl]-6-methyl-N-[3-(morpholin-4-yl)propyl]-4-oxo-1,4-dihydropyridine-3-carboxamide
• IUPAC Traditional name: 2-ethyl-1-[(2-methoxyphenyl)methyl]-6-methyl-N-[3-(morpholin-4-yl)propyl]-4-oxopyridine-3-carboxamide
• Synonyms: 2-ethyl-1-(2-methoxybenzyl)-6-methyl-N-[3-(4-morpholinyl)propyl]-4-oxo-1,4-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.338707
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.1184388
• LogD (pH = 7.4): 1.9782563
• Log P: 2.0143497
• Molar Refractivity: 124.9013 cm^3
• Polarizability: 46.847187 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.66
• LOG S: -2.24
• Polar Surface Area: 72.8 Å^2
• Rotatable Bonds: 7