N-cyclohexyl-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide

• ChemBase ID: 853916
• Molecular Formular: C17H24N4O2
• Molecular Mass: 316.39806
• Monoisotopic Mass: 316.18992603
• SMILES: c1(c(C(=O)NC2CCCCC2)nccn1)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1nccnc1C(=O)N1CCCCC1)NC1CCCCC1
• InChI: InChI=1S/C17H24N4O2/c22-16(20-13-7-3-1-4-8-13)14-15(19-10-9-18-14)17(23)21-11-5-2-6-12-21/h9-10,13H,1-8,11-12H2,(H,20,22)
• InChIKey: RLAPSGZXUFLNSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
• IUPAC Traditional name: N-cyclohexyl-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
• Synonyms: N-cyclohexyl-3-(1-piperidinylcarbonyl)-2-pyrazinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.607338
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3315468
• LogD (pH = 7.4): 1.3315232
• Log P: 1.331547
• Molar Refractivity: 87.0033 cm^3
• Polarizability: 33.048954 Å^3
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.73
• LOG S: -2.99
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 3