N-methyl-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

• ChemBase ID: 469322
• Molecular Formular: C20H24N2O2
• Molecular Mass: 324.41676
• Monoisotopic Mass: 324.18377802
• SMILES: n1(c(=O)cccc1C)CCC(=O)N(C1c2c(CCC1)cccc2)C
• Canonical SMILES: O=C(N(C1CCCc2c1cccc2)C)CCn1c(C)cccc1=O
• InChI: InChI=1S/C20H24N2O2/c1-15-7-5-12-20(24)22(15)14-13-19(23)21(2)18-11-6-9-16-8-3-4-10-17(16)18/h3-5,7-8,10,12,18H,6,9,11,13-14H2,1-2H3
• InChIKey: ZILXGEOZGYNJQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(6-methyl-2-oxo-1,2-dihydropyridin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
• IUPAC Traditional name: N-methyl-3-(2-methyl-6-oxopyridin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
• Synonyms: N-methyl-3-(6-methyl-2-oxopyridin-1(2H)-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5112822
• LogD (pH = 7.4): 2.5112822
• Log P: 2.5112822
• Molar Refractivity: 97.9551 cm^3
• Polarizability: 36.50627 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.54
• LOG S: -3.73
• Polar Surface Area: 42.31 Å^2
• Rotatable Bonds: 4