N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide

• ChemBase ID: 480950
• Molecular Formular: C21H22N2O
• Molecular Mass: 318.41218
• Monoisotopic Mass: 318.17321333
• SMILES: C(=O)(N(Cc1ncccc1)CC(C)C)c1c2c(ccc1)cccc2
• Canonical SMILES: CC(CN(C(=O)c1cccc2c1cccc2)Cc1ccccn1)C
• InChI: InChI=1S/C21H22N2O/c1-16(2)14-23(15-18-10-5-6-13-22-18)21(24)20-12-7-9-17-8-3-4-11-19(17)20/h3-13,16H,14-15H2,1-2H3
• InChIKey: ILTVDVAPZYNELP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide
• IUPAC Traditional name: N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)naphthalene-1-carboxamide
• Synonyms: N-isobutyl-N-(pyridin-2-ylmethyl)-1-naphthamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.075617
• LogD (pH = 7.4): 4.0930634
• Log P: 4.093291
• Molar Refractivity: 97.0577 cm^3
• Polarizability: 38.64662 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.93
• LOG S: -3.58
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 5