N-(6-甲基吡啶-2-基)哌啶-3-甲酰胺 | 883106-74-9

• 物质功能分类: 医药中间体 - 杂环化合物 - 吡啶类化合物
• 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
• 中文名称: N-(6-甲基吡啶-2-基)哌啶-3-甲酰胺
• 中文别名: N-（6-甲基吡啶-2-基）哌啶-3-羧酰胺
• 英文名称: N-(6-methylpyridin-2-yl)piperidine-3-carboxamide
• CAS: 883106-74-9
• 化学式: C₁₂H₁₇N₃O
• 分子量: 219.286
• InChiKey: UQZKVMVFUAGCDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  54
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  N-(6-甲基吡啶-2-基)哌啶-3-甲酰胺 、 3-氯苄溴 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 1-[(3-chlorophenyl)methyl]-N-(6-methylpyridin-2-yl)piperidine-3-carboxamide
  参考文献：
  名称：

  Design and synthesis of noncompetitive metabotropic glutamate receptor subtype 5 antagonists

  摘要：

  A series of diaryl amides was designed and synthesized as novel nonethynyl mGluR5 antagonists. The systematic variation of the pharmacophoric groups led to the identification of a lead compound that demonstrated micromolar affinity for the mGluR5. Further optimization resulted in compounds with improved binding affinities and antagonist profiles, in vitro. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.032
• 作为产物：
  描述：

  (±)-N-Fmoc-3-哌啶甲酸 Fmoc-DL-哌啶甲酸 在 氯化亚砜 、 碳酸氢钠 、 4-氨甲基哌啶 、 N,N-二甲基甲酰胺 作用下， 以 二氯甲烷 、 氯仿 为溶剂， 反应 16.0h， 生成 N-(6-甲基吡啶-2-基)哌啶-3-甲酰胺
  参考文献：
  名称：

  Design and synthesis of noncompetitive metabotropic glutamate receptor subtype 5 antagonists

  摘要：

  A series of diaryl amides was designed and synthesized as novel nonethynyl mGluR5 antagonists. The systematic variation of the pharmacophoric groups led to the identification of a lead compound that demonstrated micromolar affinity for the mGluR5. Further optimization resulted in compounds with improved binding affinities and antagonist profiles, in vitro. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.032

文献信息

• Design and synthesis of noncompetitive metabotropic glutamate receptor subtype 5 antagonists
  作者：Santosh S. Kulkarni、Barbara Nightingale、Christina M. Dersch、Richard B. Rothman、Amy Hauck Newman

  DOI：10.1016/j.bmcl.2006.04.032

  日期：2006.7

  A series of diaryl amides was designed and synthesized as novel nonethynyl mGluR5 antagonists. The systematic variation of the pharmacophoric groups led to the identification of a lead compound that demonstrated micromolar affinity for the mGluR5. Further optimization resulted in compounds with improved binding affinities and antagonist profiles, in vitro. (c) 2006 Elsevier Ltd. All rights reserved.