N,6-dimethyl-N-[4-(morpholin-4-yl)butyl]-2-oxo-1,2-dihydropyridine-4-carboxamide

• ChemBase ID: 569486
• Molecular Formular: C16H25N3O3
• Molecular Mass: 307.388
• Monoisotopic Mass: 307.18959168
• SMILES: c1(C(=O)N(CCCCN2CCOCC2)C)cc(=O)[nH]c(c1)C
• Canonical SMILES: CN(C(=O)c1cc(C)[nH]c(=O)c1)CCCCN1CCOCC1
• InChI: InChI=1S/C16H25N3O3/c1-13-11-14(12-15(20)17-13)16(21)18(2)5-3-4-6-19-7-9-22-10-8-19/h11-12H,3-10H2,1-2H3,(H,17,20)
• InChIKey: AKEIIGQGZSDZOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,6-dimethyl-N-[4-(morpholin-4-yl)butyl]-2-oxo-1,2-dihydropyridine-4-carboxamide
• IUPAC Traditional name: N,2-dimethyl-N-[4-(morpholin-4-yl)butyl]-6-oxo-1H-pyridine-4-carboxamide
• Synonyms: N,6-dimethyl-N-(4-morpholin-4-ylbutyl)-2-oxo-1,2-dihydropyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.966999
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.153282
• LogD (pH = 7.4): -0.5945727
• Log P: -0.32813552
• Molar Refractivity: 88.0828 cm^3
• Polarizability: 32.90776 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.8
• LOG S: -2.07
• Polar Surface Area: 65.64 Å^2
• Rotatable Bonds: 6