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2-哌嗪基-3-氰基吡啶 | 84951-44-0

2-哌嗪基-3-氰基吡啶结构式图片|84951-44-0结构式图片
2-哌嗪基-3-氰基吡啶
2-(piperazin-1-yl)pyridine-3-carbonitrile
84951-44-0
C10H12N4
188.22908115387
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:2-哌嗪基-3-氰基吡啶结构式
2737203
名称和标识符
MDL MFCD00190248
InChIKey QSMNQUURWIAXAA-UHFFFAOYSA-N
Inchi 1S/C10H12N4/c11-8-9-2-1-3-13-10(9)14-6-4-12-5-7-14/h1-3,12H,4-7H2
SMILES N#CC1C(N2CCNCC2)=NC=CC=1
别名信息
- 中文别名 -
  • 2-哌嗪烟酰腈
  • 2-哌嗪基-3-氰基吡啶
- 英文别名 -
  • 3-Pyridinecarbonitrile,2-(1-piperazinyl)-
  • 2-Piperazinonicotinonitrile
  • 2-(piperazin-1-yl)pyridine-3-carbonitrile
  • 2-(1-Piperazinyl)-3-pyridinecarbonitrile (ACI)
  • Nicotinonitrile, 2-(1-piperazinyl)- (6CI)
  • 1-(3-Cyano-2-pyridyl)piperazine
  • 1-(3-Cyanopyridin-2-yl)piperazine
  • 2-(1-Piperazinyl)nicotinonitrile
  • 2-(Piperazin-1-yl)pyridine-3-carbonitrile
  • 2-Piperazinopyridine-3-carbonitrile
  • 3-Cyano-2-piperazinylpyridine
  • N-(3-Cyanopyridin-2-yl)piperazine
物化性质
实验特性
LogP 0.75668
PSA 51.95000
熔点 102-104°C
计算特性
精确分子量 188.10600
氢键供体数量 1
氢键受体数量 4
可旋转化学键数量 1
重原子数量 14
合成路线

合成路线:1 步

反应条件:
参考文献:
A multifunctional therapeutic approach: Synthesis, biological evaluation, crystal structure and molecular docking of diversified 1H-pyrazolo[3,4-b]pyridine derivatives against Alzheimer's disease
Umar, Tarana; Shalini, Shruti; Raza, Kausar Md ; Gusain, Siddharth; Kumar, Jitendra; et al, European Journal of Medicinal Chemistry, 2019, 175, 2-19

合成路线:1 步

反应条件:
参考文献:
Development of cyanopyridine-triazine hybrids as lead multitarget anti-Alzheimer agents
Maqbool, Mudasir; Manral, Apra; Jameel, Ehtesham; Kumar, Jitendra; Saini, Vikas; et al, Bioorganic & Medicinal Chemistry, 2016, 24(12), 2777-2788

合成路线:1 步

反应条件:
参考文献:
Synthesis and screening of triazolopyrimidine scaffold as multi-functional agents for Alzheimer's disease therapies
Kumar, Jitendra; Meena, Poonam; Singh, Anju; Jameel, Ehtesham; Maqbool, Mudasir; et al, European Journal of Medicinal Chemistry, 2016, 119, 260-277

合成路线:1 步

反应条件:
参考文献:
Novel D2/5-HT receptor modulators related to cariprazine with potential implication to schizophrenia treatment
Juza, Radomir ; Vojtechova, Iveta ; Stefkova-Mazochova, Kristyna; Dehaen, Wim ; Petrasek, Tomas ; et al, European Journal of Medicinal Chemistry, 2022, 232,

合成路线:1 步

反应条件:
参考文献:
Structure guided design of potential inhibitors of human calcium-calmodulin dependent protein kinase IV containing pyrimidine scaffold
Naz, Huma; Jameel, Ehtesham; Hoda, Nasimul; Shandilya, Ashutosh; Khan, Parvez; et al, Bioorganic & Medicinal Chemistry Letters, 2016, 26(3), 782-788

合成路线:1 步

反应条件:
参考文献:
Pyrimidine-Triazolopyrimidine and Pyrimidine-Pyridine Hybrids as Potential Acetylcholinesterase Inhibitors for Alzheimer's Disease
Kumar, Jitendra; Gill, Asim; Shaikh, Marziya; Singh, Anju; Shandilya, Ashutosh; et al, ChemistrySelect, 2018, 3(2), 736-747
专业数据库参考
PubChemId 2737203
化合物详情(旧版)

SMILES

N#CC1=C(N=CC=C1)N2CCNCC2

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