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

• ChemBase ID: 816487
• Molecular Formular: C26H36FN3O4
• Molecular Mass: 473.5801432
• Monoisotopic Mass: 473.26898487
• SMILES: c1(c(n(c(cc1=O)C)CCCN1CCOCC1)Cc1cc(F)ccc1)C(=O)NCCCOCC
• Canonical SMILES: CCOCCCNC(=O)c1c(=O)cc(n(c1Cc1cccc(c1)F)CCCN1CCOCC1)C
• InChI: InChI=1S/C26H36FN3O4/c1-3-33-14-5-9-28-26(32)25-23(19-21-7-4-8-22(27)18-21)30(20(2)17-24(25)31)11-6-10-29-12-15-34-16-13-29/h4,7-8,17-18H,3,5-6,9-16,19H2,1-2H3,(H,28,32)
• InChIKey: XULYDCKRHFXYIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.809684
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.0062888
• LogD (pH = 7.4): 2.0362103
• Log P: 2.0938458
• Molar Refractivity: 134.7944 cm^3
• Polarizability: 50.220455 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.99
• LOG S: -3.98
• Polar Surface Area: 72.8 Å^2
• Rotatable Bonds: 10