N-({2-[cyclohexyl(methyl)amino]pyridin-3-yl}methyl)-3-(pyrazin-2-yl)propanamide

• ChemBase ID: 662112
• Molecular Formular: C20H27N5O
• Molecular Mass: 353.46128
• Monoisotopic Mass: 353.22156051
• SMILES: c1(N(C2CCCCC2)C)c(CNC(=O)CCc2nccnc2)cccn1
• Canonical SMILES: CN(c1ncccc1CNC(=O)CCc1nccnc1)C1CCCCC1
• InChI: InChI=1S/C20H27N5O/c1-25(18-7-3-2-4-8-18)20-16(6-5-11-23-20)14-24-19(26)10-9-17-15-21-12-13-22-17/h5-6,11-13,15,18H,2-4,7-10,14H2,1H3,(H,24,26)
• InChIKey: RRPAPKLVJGFKIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[cyclohexyl(methyl)amino]pyridin-3-yl}methyl)-3-(pyrazin-2-yl)propanamide
• IUPAC Traditional name: N-({2-[cyclohexyl(methyl)amino]pyridin-3-yl}methyl)-3-(pyrazin-2-yl)propanamide
• Synonyms: N-({2-[cyclohexyl(methyl)amino]-3-pyridinyl}methyl)-3-(2-pyrazinyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.167239
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.2214158
• LogD (pH = 7.4): 1.8950248
• Log P: 1.9194399
• Molar Refractivity: 102.1599 cm^3
• Polarizability: 39.10135 Å^3
• Polar Surface Area: 71.01 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: 1.84
• LOG S: -3.95
• Polar Surface Area: 71.01 Å^2
• Rotatable Bonds: 7