6-(2-ethylmorpholin-4-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide

• ChemBase ID: 611066
• Molecular Formular: C22H29N3O3
• Molecular Mass: 383.48396
• Monoisotopic Mass: 383.2208918
• SMILES: N1(c2ncc(C(=O)NCCCc3ccc(cc3)OC)cc2)CC(OCC1)CC
• Canonical SMILES: CCC1OCCN(C1)c1ccc(cn1)C(=O)NCCCc1ccc(cc1)OC
• InChI: InChI=1S/C22H29N3O3/c1-3-19-16-25(13-14-28-19)21-11-8-18(15-24-21)22(26)23-12-4-5-17-6-9-20(27-2)10-7-17/h6-11,15,19H,3-5,12-14,16H2,1-2H3,(H,23,26)
• InChIKey: TWSMDCWIGQSKEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-ethylmorpholin-4-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
• IUPAC Traditional name: 6-(2-ethylmorpholin-4-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
• Synonyms: 6-(2-ethylmorpholin-4-yl)-N-[3-(4-methoxyphenyl)propyl]nicotinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.606689
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.4719775
• LogD (pH = 7.4): 3.551892
• Log P: 3.5530198
• Molar Refractivity: 111.0674 cm^3
• Polarizability: 42.050507 Å^3
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.59
• LOG S: -5.06
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 8