4'-(2-Pyridylcarbamoyl)-acetanilid | 36844-89-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4'-(2-Pyridylcarbamoyl)-acetanilid
• 英文别名: 4-acetylamino-N-pyridin-2-yl-benzamide；Benzamide, 4-(acetylamino)-N-2-pyridinyl-；4-acetamido-N-pyridin-2-ylbenzamide
• CAS: 36844-89-0
• 化学式: C₁₄H₁₃N₃O₂
• mdl: MFCD00433431
• 分子量: 255.276
• InChiKey: GDKVDCDNGVWBCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  71.1
• 氢给体数：
  2
• 氢受体数：
  3

ADMET

代谢

4-乙酰胺基-N-(吡啶-2-基)苯甲酰胺是2-(4-氨基苯甲酰胺)吡啶的人类已知代谢物。

4-acetamido-N-(pyridin-2-yl)benzamide is a known human metabolite of 2-(4-aminobenzamido)pyridine.

来源:NORMAN Suspect List Exchange

文献信息

• [EN] PARA AMINO BENZOIC ACID BASED NANOTUBES<br/>[FR] NANOTUBES À BASE D'ACIDE PARA-AMINOBENZOÏQUE
  申请人：INDIAN INST OF CHEMICAL TECHNOLOGY

  公开号：WO2011004393A2

  公开（公告）日：2011-01-13

  The claimed invention resides in self-assembled nanostructures (in particular nanotubes and nanorods) of a drug moiety which further has side chains allowing self-assembly to occur. In particular the drug moiety used in the instant application is derived from p-amino benzoic acid (PABA) - specifically, 4-laurylamido-N- (pyridine-2-yl)benzamide and 4-stearylamido-N-(pyridine-2-yl)benzamide. The length of the alkyl side chain group dictates the molecular arrangement of the self-assembled nanostructures. The nanostructures of the instant application exhibit fluorescence either intrinsically or when a fluorescent agent is incorporated into the nanostructure and are useful as in vivo diagnostic tracking agents.