N-[3-(3-ethylphenoxy)propyl]-N,1-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide

• ChemBase ID: 563023
• Molecular Formular: C19H24N2O3
• Molecular Mass: 328.40546
• Monoisotopic Mass: 328.17869264
• SMILES: c1(cn(c(=O)cc1)C)C(=O)N(CCCOc1cc(ccc1)CC)C
• Canonical SMILES: CCc1cccc(c1)OCCCN(C(=O)c1ccc(=O)n(c1)C)C
• InChI: InChI=1S/C19H24N2O3/c1-4-15-7-5-8-17(13-15)24-12-6-11-20(2)19(23)16-9-10-18(22)21(3)14-16/h5,7-10,13-14H,4,6,11-12H2,1-3H3
• InChIKey: ALNOXTVREVDCRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(3-ethylphenoxy)propyl]-N,1-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-[3-(3-ethylphenoxy)propyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
• Synonyms: N-[3-(3-ethylphenoxy)propyl]-N,1-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9779997
• LogD (pH = 7.4): 1.9780008
• Log P: 1.9780008
• Molar Refractivity: 95.6166 cm^3
• Polarizability: 36.072624 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.33
• LOG S: -3.58
• Polar Surface Area: 51.54 Å^2
• Rotatable Bonds: 7