N-methyl-3-(pyridin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

• ChemBase ID: 346305
• Molecular Formular: C19H22N2O
• Molecular Mass: 294.39078
• Monoisotopic Mass: 294.17321333
• SMILES: N(C1c2c(CCC1)cccc2)(C(=O)CCc1cnccc1)C
• Canonical SMILES: O=C(N(C1CCCc2c1cccc2)C)CCc1cccnc1
• InChI: InChI=1S/C19H22N2O/c1-21(19(22)12-11-15-6-5-13-20-14-15)18-10-4-8-16-7-2-3-9-17(16)18/h2-3,5-7,9,13-14,18H,4,8,10-12H2,1H3
• InChIKey: JLSLPUMIHMBBNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-3-(pyridin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
• IUPAC Traditional name: N-methyl-3-(pyridin-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
• Synonyms: N-methyl-3-(3-pyridinyl)-N-(1,2,3,4-tetrahydro-1-naphthalenyl)propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0996542
• LogD (pH = 7.4): 3.1902437
• Log P: 3.191566
• Molar Refractivity: 88.2197 cm^3
• Polarizability: 34.168625 Å^3
• Polar Surface Area: 33.2 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: 2.78
• LOG S: -2.42
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 4