2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide
• 英文别名: Ibu-am5；2-[4-(2-methylpropyl)phenyl]-N-(3-methylpyridin-2-yl)propanamide
• 化学式: C₁₉H₂₄N₂O
• 分子量: 296.412
• InChiKey: ZBKGVYYUEQPQPO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  42
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-氨基-3-甲基吡啶 、 布洛芬 在 N,N'-羰基二咪唑 作用下， 以 二氯甲烷 为溶剂， 反应 72.5h， 以97%的产率得到2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide
  参考文献：
  名称：

  Synthesis of ibuprofen heterocyclic amides and investigation of their analgesic and toxicological properties

  摘要：

  A series of amides of ibuprofen with heteroaromatic amines was synthesized and assayed in vivo for their analgesic properties by means of writhing test in rats. When compared to parent ibuprofen some of the new amides exhibited a comparable or improved analgesic activity and a lower ulcerogenic effect. (C) 2003 Editions scientificlues et medicales Elsevier SAS. All rights reserved.

  DOI：

  10.1016/s0223-5234(03)00074-6

文献信息

• Synthesis of ibuprofen heterocyclic amides and investigation of their analgesic and toxicological properties
  作者：Maria Teresa Cocco、Cenzo Congiu、Valentina Onnis、Micaela Morelli、Omar Cauli

  DOI：10.1016/s0223-5234(03)00074-6

  日期：2003.5

  A series of amides of ibuprofen with heteroaromatic amines was synthesized and assayed in vivo for their analgesic properties by means of writhing test in rats. When compared to parent ibuprofen some of the new amides exhibited a comparable or improved analgesic activity and a lower ulcerogenic effect. (C) 2003 Editions scientificlues et medicales Elsevier SAS. All rights reserved.