N-(2-methoxyethyl)-2-methyl-4-phenyl-N-propylpyridine-3-carboxamide

• ChemBase ID: 704484
• Molecular Formular: C19H24N2O2
• Molecular Mass: 312.40606
• Monoisotopic Mass: 312.18377802
• SMILES: c1(C(=O)N(CCOC)CCC)c(c2ccccc2)ccnc1C
• Canonical SMILES: COCCN(C(=O)c1c(C)nccc1c1ccccc1)CCC
• InChI: InChI=1S/C19H24N2O2/c1-4-12-21(13-14-23-3)19(22)18-15(2)20-11-10-17(18)16-8-6-5-7-9-16/h5-11H,4,12-14H2,1-3H3
• InChIKey: ODHKXSFMFMEMDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-2-methyl-4-phenyl-N-propylpyridine-3-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-2-methyl-4-phenyl-N-propylpyridine-3-carboxamide
• Synonyms: N-(2-methoxyethyl)-2-methyl-4-phenyl-N-propylnicotinamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5588105
• LogD (pH = 7.4): 2.662997
• Log P: 2.6645162
• Molar Refractivity: 92.8167 cm^3
• Polarizability: 36.744083 Å^3
• Polar Surface Area: 42.43 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: 2.36
• LOG S: -3.49
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 7