N-[1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]-4-[(2-methylpyridin-3-yl)oxy]piperidine-4-carboxamide

• ChemBase ID: 633503
• Molecular Formular: C19H27N5O2
• Molecular Mass: 357.44998
• Monoisotopic Mass: 357.21647513
• SMILES: C(=O)(C1(Oc2c(nccc2)C)CCNCC1)NC(Cc1[nH]nc(c1)C)C
• Canonical SMILES: CC(Cc1[nH]nc(c1)C)NC(=O)C1(CCNCC1)Oc1cccnc1C
• InChI: InChI=1S/C19H27N5O2/c1-13(11-16-12-14(2)23-24-16)22-18(25)19(6-9-20-10-7-19)26-17-5-4-8-21-15(17)3/h4-5,8,12-13,20H,6-7,9-11H2,1-3H3,(H,22,25)(H,23,24)
• InChIKey: RPNGTSDRMNZGBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3-methyl-1H-pyrazol-5-yl)propan-2-yl]-4-[(2-methylpyridin-3-yl)oxy]piperidine-4-carboxamide
• IUPAC Traditional name: N-[1-(5-methyl-2H-pyrazol-3-yl)propan-2-yl]-4-[(2-methylpyridin-3-yl)oxy]piperidine-4-carboxamide
• Synonyms: N-[1-methyl-2-(3-methyl-1H-pyrazol-5-yl)ethyl]-4-[(2-methylpyridin-3-yl)oxy]piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.499127
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -3.483504
• LogD (pH = 7.4): -2.1309118
• Log P: 0.052457556
• Molar Refractivity: 100.0087 cm^3
• Polarizability: 38.621994 Å^3
• Polar Surface Area: 91.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 0.38
• LOG S: -2.13
• Polar Surface Area: 91.93 Å^2
• Rotatable Bonds: 6