3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]-2,2-dimethylpropyl]-1-methyl-2-oxopyridine-4-carboxamide | 250773-59-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]-2,2-dimethylpropyl]-1-methyl-2-oxopyridine-4-carboxamide
• CAS: 250773-59-2
• 化学式: C₁₉H₂₄N₄O₆
• 分子量: 404.423
• InChiKey: IIGIVNIQDLRTNC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  139
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  aluminium(III) acetylacetonate 、 3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]-2,2-dimethylpropyl]-1-methyl-2-oxopyridine-4-carboxamide 以 甲醇 为溶剂， 以87%的产率得到
  参考文献：
  名称：

  meso Myths: What Drives Assembly of Helical versusmeso-[M2L3] Clusters?

  摘要：

  Both a triple helix as well as a meso complex are formed by the Ga(III) and Al(III) complexes with a bis-bidentate bis-hydroxypyridinone ligand H(2)L. The two forms are in equilibrium in solution, though formation of the helical structure in the presence of water, which as guest molecule finds sufficient space in the cavity of the helix, is favored (the structure of the helical H(2)O subset[Al(2)L(3)] complex is shown).

  DOI：

  10.1002/(sici)1521-3773(19991004)38:19<2878::aid-anie2878>3.0.co;2-w
• 作为产物：
  描述：

  二甲基丙二胺 在 盐酸 、 水 作用下， 以 二氯甲烷 、 溶剂黄146 为溶剂， 反应 48.0h， 生成 3-hydroxy-N-[3-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]-2,2-dimethylpropyl]-1-methyl-2-oxopyridine-4-carboxamide
  参考文献：
  名称：

  meso Myths: What Drives Assembly of Helical versusmeso-[M2L3] Clusters?

  摘要：

  Both a triple helix as well as a meso complex are formed by the Ga(III) and Al(III) complexes with a bis-bidentate bis-hydroxypyridinone ligand H(2)L. The two forms are in equilibrium in solution, though formation of the helical structure in the presence of water, which as guest molecule finds sufficient space in the cavity of the helix, is favored (the structure of the helical H(2)O subset[Al(2)L(3)] complex is shown).

  DOI：

  10.1002/(sici)1521-3773(19991004)38:19<2878::aid-anie2878>3.0.co;2-w