N-({2-[cyclohexyl(methyl)amino]pyridin-3-yl}methyl)-2-(2-oxopyrrolidin-1-yl)acetamide

• ChemBase ID: 583443
• Molecular Formular: C19H28N4O2
• Molecular Mass: 344.45122
• Monoisotopic Mass: 344.22122616
• SMILES: c1(N(C2CCCCC2)C)c(CNC(=O)CN2C(=O)CCC2)cccn1
• Canonical SMILES: O=C(CN1CCCC1=O)NCc1cccnc1N(C1CCCCC1)C
• InChI: InChI=1S/C19H28N4O2/c1-22(16-8-3-2-4-9-16)19-15(7-5-11-20-19)13-21-17(24)14-23-12-6-10-18(23)25/h5,7,11,16H,2-4,6,8-10,12-14H2,1H3,(H,21,24)
• InChIKey: UGOMNKBSPOCBIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[cyclohexyl(methyl)amino]pyridin-3-yl}methyl)-2-(2-oxopyrrolidin-1-yl)acetamide
• IUPAC Traditional name: N-({2-[cyclohexyl(methyl)amino]pyridin-3-yl}methyl)-2-(2-oxopyrrolidin-1-yl)acetamide
• Synonyms: N-({2-[cyclohexyl(methyl)amino]-3-pyridinyl}methyl)-2-(2-oxo-1-pyrrolidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.278984
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8493397
• LogD (pH = 7.4): 1.5229414
• Log P: 1.5473561
• Molar Refractivity: 98.1701 cm^3
• Polarizability: 37.313847 Å^3
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.21
• LOG S: -2.52
• Polar Surface Area: 65.54 Å^2
• Rotatable Bonds: 6