N,N-diethyl-6-oxo-1-phenyl-1,6-dihydropyridine-3-carboxamide

• ChemBase ID: 167324
• Molecular Formular: C16H18N2O2
• Molecular Mass: 270.32632
• Monoisotopic Mass: 270.13682783
• SMILES: c1ccccc1n1c(=O)ccc(c1)C(=O)N(CC)CC
• Canonical SMILES: CCN(C(=O)c1ccc(=O)n(c1)c1ccccc1)CC
• InChI: InChI=1S/C16H18N2O2/c1-3-17(4-2)16(20)13-10-11-15(19)18(12-13)14-8-6-5-7-9-14/h5-12H,3-4H2,1-2H3
• InChIKey: FJJYGDCEVNJNMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-6-oxo-1-phenyl-1,6-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N,N-diethyl-6-oxo-1-phenylpyridine-3-carboxamide
• Synonyms: N,N-Diethyl-1,6-dihydro-6-oxo-1-phenyl-3-pyridinecarboxamide; 5-(N,N-Diethylcarboxamide)-1-phenylpyridin-2(1H)-one

Database IDs

• CAS Number: 1076199-97-7
• PubChem SID: 162261457
• PubChem CID: 29978364

CALCULATED PROPERTIES

• Polarizability: 29.933243 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.68748
• LogD (pH = 7.4): 1.6875745
• Log P: 1.6875757
• Molar Refractivity: 79.8316 cm^3

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Methanol
• Apperance: Yellow Solid

Safety Information

• Storage Condition: Refrigerator