1-methyl-N-(6-methylpyridin-2-yl)-1H-pyrrole-2-carboxamide | 936210-67-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-methyl-N-(6-methylpyridin-2-yl)-1H-pyrrole-2-carboxamide
• 英文别名: 1-methyl-N-(6-methylpyridin-2-yl)pyrrole-2-carboxamide
• CAS: 936210-67-2
• 化学式: C₁₂H₁₃N₃O
• mdl: MFCD24388815
• 分子量: 215.255
• InChiKey: WZYBNQQLKSFDDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  46.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-甲基-2-吡咯羧酸 、 alkaline earth salt of/the/ methylsulfuric acid 在 氯化亚砜 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 1-methyl-N-(6-methylpyridin-2-yl)-1H-pyrrole-2-carboxamide
  参考文献：
  名称：

  Design and synthesis of novel heterobiaryl amides as metabotropic glutamate receptor subtype 5 antagonists

  摘要：

  A series of heterobiaryl amides was designed and synthesized as novel mGluR5 antagonists. The synthesis using palladium catalyzed Suzuki-Miyaura cross-coupling reactions provided art array of compounds with a range of in vitro activities. In particular, compound 9e, 4( 3,5-difluorophenyl)-N-(6-methylpyridin-1-yl)picolinamide, exhibited nanomolar affinity at the mGluR5 and will serve as a template for future drug design. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.12.083

文献信息

• Design and synthesis of novel heterobiaryl amides as metabotropic glutamate receptor subtype 5 antagonists
  作者：Santosh S. Kulkarni、Amy Hauck Newman

  DOI：10.1016/j.bmcl.2006.12.083

  日期：2007.4

  A series of heterobiaryl amides was designed and synthesized as novel mGluR5 antagonists. The synthesis using palladium catalyzed Suzuki-Miyaura cross-coupling reactions provided art array of compounds with a range of in vitro activities. In particular, compound 9e, 4( 3,5-difluorophenyl)-N-(6-methylpyridin-1-yl)picolinamide, exhibited nanomolar affinity at the mGluR5 and will serve as a template for future drug design. (c) 2007 Elsevier Ltd. All rights reserved.