N-(furan-2-ylmethyl)-5,6-dimethyl-N-[2-(morpholin-4-yl)ethyl]-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 424592
• Molecular Formular: C19H25N3O4
• Molecular Mass: 359.4195
• Monoisotopic Mass: 359.1845063
• SMILES: c1(c(=O)[nH]c(c(c1)C)C)C(=O)N(Cc1occc1)CCN1CCOCC1
• Canonical SMILES: O=C(c1cc(C)c([nH]c1=O)C)N(Cc1ccco1)CCN1CCOCC1
• InChI: InChI=1S/C19H25N3O4/c1-14-12-17(18(23)20-15(14)2)19(24)22(13-16-4-3-9-26-16)6-5-21-7-10-25-11-8-21/h3-4,9,12H,5-8,10-11,13H2,1-2H3,(H,20,23)
• InChIKey: RGJUHDDKWSRWJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-5,6-dimethyl-N-[2-(morpholin-4-yl)ethyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-5,6-dimethyl-N-[2-(morpholin-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-(2-furylmethyl)-5,6-dimethyl-N-[2-(4-morpholinyl)ethyl]-2-oxo-1,2-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.002498
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.30215663
• LogD (pH = 7.4): 0.25978824
• Log P: 0.2748123
• Molar Refractivity: 99.9334 cm^3
• Polarizability: 37.537437 Å^3
• Polar Surface Area: 75.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.06
• LOG S: -3.08
• Polar Surface Area: 78.78 Å^2
• Rotatable Bonds: 6