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

• ChemBase ID: 654232
• Molecular Formular: C17H19N3O
• Molecular Mass: 281.35226
• Monoisotopic Mass: 281.15281224
• SMILES: C(=O)(NC1Cc2c(CC1)cccc2)CCc1nccnc1
• Canonical SMILES: O=C(NC1CCc2c(C1)cccc2)CCc1cnccn1
• InChI: InChI=1S/C17H19N3O/c21-17(8-7-16-12-18-9-10-19-16)20-15-6-5-13-3-1-2-4-14(13)11-15/h1-4,9-10,12,15H,5-8,11H2,(H,20,21)
• InChIKey: XEUHUOJKNDAXAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.22626
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4682213
• LogD (pH = 7.4): 1.4682258
• Log P: 1.4682258
• Molar Refractivity: 80.8963 cm^3
• Polarizability: 31.49567 Å^3
• Polar Surface Area: 54.88 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.11
• LOG S: -3.65
• Polar Surface Area: 54.88 Å^2
• Rotatable Bonds: 4