N-cyclooctyl-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(2-methoxyethyl)-4-oxo-1,4-dihydropyridine-3-carboxamide

• ChemBase ID: 554984
• Molecular Formular: C24H37N3O5
• Molecular Mass: 447.56768
• Monoisotopic Mass: 447.2733213
• SMILES: c1(c(=O)c(C(=O)NC2CCCCCCC2)cn(c1)CCOC)C(=O)N1C[C@@H](O[C@@H](C1)C)C
• Canonical SMILES: COCCn1cc(C(=O)NC2CCCCCCC2)c(=O)c(c1)C(=O)N1C[C@H](C)O[C@@H](C1)C
• InChI: InChI=1S/C24H37N3O5/c1-17-13-27(14-18(2)32-17)24(30)21-16-26(11-12-31-3)15-20(22(21)28)23(29)25-19-9-7-5-4-6-8-10-19/h15-19H,4-14H2,1-3H3,(H,25,29)/t17-,18+
• InChIKey: SWGCZUOPDPMMMX-HDICACEKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclooctyl-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(2-methoxyethyl)-4-oxo-1,4-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-cyclooctyl-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(2-methoxyethyl)-4-oxopyridine-3-carboxamide
• Synonyms: N-cyclooctyl-5-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]carbonyl}-1-(2-methoxyethyl)-4-oxo-1,4-dihydro-3-pyridinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.289077
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.1445096
• LogD (pH = 7.4): 2.1445107
• Log P: 2.1445107
• Molar Refractivity: 122.566 cm^3
• Polarizability: 47.309917 Å^3
• Polar Surface Area: 88.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.16
• LOG S: -4.97
• Polar Surface Area: 89.87 Å^2
• Rotatable Bonds: 5