N-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-6-oxo-1-[2-(pyridin-2-yl)ethyl]piperidine-3-carboxamide

• ChemBase ID: 557784
• Molecular Formular: C19H25N5O2
• Molecular Mass: 355.4341
• Monoisotopic Mass: 355.20082507
• SMILES: N1(C(=O)CCC(C(=O)NCCn2nc(cc2)C)C1)CCc1ncccc1
• Canonical SMILES: O=C(C1CCC(=O)N(C1)CCc1ccccn1)NCCn1ccc(n1)C
• InChI: InChI=1S/C19H25N5O2/c1-15-7-12-24(22-15)13-10-21-19(26)16-5-6-18(25)23(14-16)11-8-17-4-2-3-9-20-17/h2-4,7,9,12,16H,5-6,8,10-11,13-14H2,1H3,(H,21,26)
• InChIKey: HTKHPTIQSHWWHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-6-oxo-1-[2-(pyridin-2-yl)ethyl]piperidine-3-carboxamide
• IUPAC Traditional name: N-[2-(3-methylpyrazol-1-yl)ethyl]-6-oxo-1-[2-(pyridin-2-yl)ethyl]piperidine-3-carboxamide
• Synonyms: N-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-6-oxo-1-[2-(2-pyridinyl)ethyl]-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.245446
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.025228368
• LogD (pH = 7.4): 0.06965951
• Log P: 0.07025728
• Molar Refractivity: 108.7772 cm^3
• Polarizability: 37.710583 Å^3
• Polar Surface Area: 80.12 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: 0.23
• LOG S: -3.44
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 7