N-[(5-methylpyrazin-2-yl)methyl]-2-(piperidin-1-yl)-2,3-dihydro-1H-indene-2-carboxamide

• ChemBase ID: 769152
• Molecular Formular: C21H26N4O
• Molecular Mass: 350.45734
• Monoisotopic Mass: 350.21066147
• SMILES: C1(C(=O)NCc2ncc(nc2)C)(N2CCCCC2)Cc2c(C1)cccc2
• Canonical SMILES: O=C(C1(Cc2c(C1)cccc2)N1CCCCC1)NCc1ncc(nc1)C
• InChI: InChI=1S/C21H26N4O/c1-16-13-23-19(14-22-16)15-24-20(26)21(25-9-5-2-6-10-25)11-17-7-3-4-8-18(17)12-21/h3-4,7-8,13-14H,2,5-6,9-12,15H2,1H3,(H,24,26)
• InChIKey: RWTWRACLOXRHKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-methylpyrazin-2-yl)methyl]-2-(piperidin-1-yl)-2,3-dihydro-1H-indene-2-carboxamide
• IUPAC Traditional name: N-[(5-methylpyrazin-2-yl)methyl]-2-(piperidin-1-yl)-1,3-dihydroindene-2-carboxamide
• Synonyms: N-[(5-methyl-2-pyrazinyl)methyl]-2-(1-piperidinyl)-2-indanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.38397
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.70578307
• LogD (pH = 7.4): 1.0602108
• Log P: 1.7781597
• Molar Refractivity: 101.6889 cm^3
• Polarizability: 39.58414 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.22
• LOG S: -3.9
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 4