N-[1-(3-methylpyridin-2-yl)propyl]-4-[(6-methylpyridin-3-yl)oxy]piperidine-4-carboxamide

• ChemBase ID: 453356
• Molecular Formular: C21H28N4O2
• Molecular Mass: 368.47262
• Monoisotopic Mass: 368.22122616
• SMILES: C(=O)(C1(Oc2cnc(cc2)C)CCNCC1)NC(c1ncccc1C)CC
• Canonical SMILES: CCC(c1ncccc1C)NC(=O)C1(CCNCC1)Oc1ccc(nc1)C
• InChI: InChI=1S/C21H28N4O2/c1-4-18(19-15(2)6-5-11-23-19)25-20(26)21(9-12-22-13-10-21)27-17-8-7-16(3)24-14-17/h5-8,11,14,18,22H,4,9-10,12-13H2,1-3H3,(H,25,26)
• InChIKey: JXCOPTNBOXNHDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3-methylpyridin-2-yl)propyl]-4-[(6-methylpyridin-3-yl)oxy]piperidine-4-carboxamide
• IUPAC Traditional name: N-[1-(3-methylpyridin-2-yl)propyl]-4-[(6-methylpyridin-3-yl)oxy]piperidine-4-carboxamide
• Synonyms: 4-[(6-methylpyridin-3-yl)oxy]-N-[1-(3-methylpyridin-2-yl)propyl]piperidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.640222
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.7440212
• LogD (pH = 7.4): -0.49132904
• Log P: 1.688875
• Molar Refractivity: 103.9481 cm^3
• Polarizability: 40.908855 Å^3
• Polar Surface Area: 76.14 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.51
• LOG S: -1.87
• Polar Surface Area: 76.14 Å^2
• Rotatable Bonds: 6