1-methyl-N-(morpholin-2-ylmethyl)-2-oxo-6-(propan-2-yl)-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 673209
• Molecular Formular: C15H23N3O3
• Molecular Mass: 293.36142
• Monoisotopic Mass: 293.17394161
• SMILES: c1(c(=O)n(c(cc1)C(C)C)C)C(=O)NCC1OCCNC1
• Canonical SMILES: CC(c1ccc(c(=O)n1C)C(=O)NCC1OCCNC1)C
• InChI: InChI=1S/C15H23N3O3/c1-10(2)13-5-4-12(15(20)18(13)3)14(19)17-9-11-8-16-6-7-21-11/h4-5,10-11,16H,6-9H2,1-3H3,(H,17,19)
• InChIKey: VVWMCGUBKDSACE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-N-(morpholin-2-ylmethyl)-2-oxo-6-(propan-2-yl)-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: 6-isopropyl-1-methyl-N-(morpholin-2-ylmethyl)-2-oxopyridine-3-carboxamide
• Synonyms: 6-isopropyl-1-methyl-N-(morpholin-2-ylmethyl)-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.331759
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.890423
• LogD (pH = 7.4): -1.181244
• Log P: -0.18905436
• Molar Refractivity: 82.019 cm^3
• Polarizability: 31.071167 Å^3
• Polar Surface Area: 70.67 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.05
• LOG S: -1.75
• Polar Surface Area: 72.36 Å^2
• Rotatable Bonds: 4