N-[(5-methylpyrazin-2-yl)methyl]-5-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide

• ChemBase ID: 646685
• Molecular Formular: C19H22N4O2
• Molecular Mass: 338.40358
• Monoisotopic Mass: 338.17427596
• SMILES: C1(=O)N(Cc2c1cccc2)CCCCC(=O)NCc1ncc(nc1)C
• Canonical SMILES: O=C(NCc1cnc(cn1)C)CCCCN1Cc2c(C1=O)cccc2
• InChI: InChI=1S/C19H22N4O2/c1-14-10-21-16(11-20-14)12-22-18(24)8-4-5-9-23-13-15-6-2-3-7-17(15)19(23)25/h2-3,6-7,10-11H,4-5,8-9,12-13H2,1H3,(H,22,24)
• InChIKey: ZLDTZEVZBZPJOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-methylpyrazin-2-yl)methyl]-5-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)pentanamide
• IUPAC Traditional name: N-[(5-methylpyrazin-2-yl)methyl]-5-(1-oxo-3H-isoindol-2-yl)pentanamide
• Synonyms: N-[(5-methylpyrazin-2-yl)methyl]-5-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)pentanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.729894
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.38937998
• LogD (pH = 7.4): 0.38939503
• Log P: 0.38939524
• Molar Refractivity: 94.7114 cm^3
• Polarizability: 36.096973 Å^3
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.28
• LOG S: -3.22
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 7