1-ethyl-N-(9H-fluoren-9-yl)-2-oxo-1,2-dihydropyridine-4-carboxamide

• ChemBase ID: 319217
• Molecular Formular: C21H18N2O2
• Molecular Mass: 330.37982
• Monoisotopic Mass: 330.13682783
• SMILES: C1(NC(=O)c2cc(=O)n(cc2)CC)c2c(c3c1cccc3)cccc2
• Canonical SMILES: CCn1ccc(cc1=O)C(=O)NC1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C21H18N2O2/c1-2-23-12-11-14(13-19(23)24)21(25)22-20-17-9-5-3-7-15(17)16-8-4-6-10-18(16)20/h3-13,20H,2H2,1H3,(H,22,25)
• InChIKey: CZDBGPUIFSLMJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-(9H-fluoren-9-yl)-2-oxo-1,2-dihydropyridine-4-carboxamide
• IUPAC Traditional name: 1-ethyl-N-(9H-fluoren-9-yl)-2-oxopyridine-4-carboxamide
• Synonyms: 1-ethyl-N-9H-fluoren-9-yl-2-oxo-1,2-dihydropyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.775188
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.6318257
• LogD (pH = 7.4): 2.631826
• Log P: 2.6318262
• Molar Refractivity: 98.3823 cm^3
• Polarizability: 38.34865 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.41
• LOG S: -4.78
• Polar Surface Area: 51.1 Å^2
• Rotatable Bonds: 3