6-(2,2-dimethylmorpholin-4-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide

• ChemBase ID: 533704
• Molecular Formular: C20H32N4O2
• Molecular Mass: 360.49368
• Monoisotopic Mass: 360.25252628
• SMILES: N1(c2ncc(C(=O)NCCC3N(C)CCCC3)cc2)CC(OCC1)(C)C
• Canonical SMILES: CN1CCCCC1CCNC(=O)c1ccc(nc1)N1CCOC(C1)(C)C
• InChI: InChI=1S/C20H32N4O2/c1-20(2)15-24(12-13-26-20)18-8-7-16(14-22-18)19(25)21-10-9-17-6-4-5-11-23(17)3/h7-8,14,17H,4-6,9-13,15H2,1-3H3,(H,21,25)
• InChIKey: JRAAGAHYRSNOJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2,2-dimethylmorpholin-4-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide
• IUPAC Traditional name: 6-(2,2-dimethylmorpholin-4-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide
• Synonyms: 6-(2,2-dimethylmorpholin-4-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.605521
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.359013
• LogD (pH = 7.4): 0.20386584
• Log P: 1.9997798
• Molar Refractivity: 105.4465 cm^3
• Polarizability: 39.945835 Å^3
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.42
• LOG S: -3.9
• Polar Surface Area: 57.7 Å^2
• Rotatable Bonds: 5