N-[3-(cyclopentyloxy)propyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide

• ChemBase ID: 519483
• Molecular Formular: C19H28N4O3
• Molecular Mass: 360.45062
• Monoisotopic Mass: 360.21614078
• SMILES: c1(c(C(=O)NCCCOC2CCCC2)nccn1)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1nccnc1C(=O)N1CCCCC1)NCCCOC1CCCC1
• InChI: InChI=1S/C19H28N4O3/c24-18(22-9-6-14-26-15-7-2-3-8-15)16-17(21-11-10-20-16)19(25)23-12-4-1-5-13-23/h10-11,15H,1-9,12-14H2,(H,22,24)
• InChIKey: NCMZNNKIZWEUIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(cyclopentyloxy)propyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
• IUPAC Traditional name: N-[3-(cyclopentyloxy)propyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
• Synonyms: N-[3-(cyclopentyloxy)propyl]-3-(piperidin-1-ylcarbonyl)pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.4876585
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.89996225
• LogD (pH = 7.4): 0.8999312
• Log P: 0.8999626
• Molar Refractivity: 98.3112 cm^3
• Polarizability: 37.43837 Å^3
• Polar Surface Area: 84.42 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.73
• LOG S: -2.45
• Polar Surface Area: 84.42 Å^2
• Rotatable Bonds: 7