2-CYCLOHEXYLAMINO-5-NITROPYRIDINE , CAS No.25948-14-5

CAS: 25948-14-5 Cat. No.: C169100 Peso molecular: 221.261 Número EC: 654-283-6

Synonyms

2-Cyclohexylamino-5-nitropyridine|25948-14-5|N-cyclohexyl-5-nitropyridin-2-amine|2-n-cyclohexylamino-5-nitropyridine|MLS002695224|Pyridine, 2-(cyclohexylamino)-5-nitro-|NSC93940|BAS 03293897|SCHEMBL4066108|CHEMBL2134966|DTXSID40294067|HMS3087K17|NSC-93940

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-Cyclohexylamino-5-nitropyridine | 25948-14-5 | N-cyclohexyl-5-nitropyridin-2-amine | 2-n-cyclohexylamino-5-nitropyridine | MLS002695224 | Pyridine, 2-(cyclohexylamino)-5-nitro- | NSC93940 | BAS 03293897 | SCHEMBL4066108 | CHEMBL2134966 | DTXSID40294067 | HMS3087K17 | NSC-93940

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: C1CCC(CC1)NC2=NC=C(C=C2)[N+](=O)[O-]
• IUPAC Name: N-cyclohexyl-5-nitropyridin-2-amine
• InChIKey: OGOQAAXBFKYJBE-UHFFFAOYSA-N
• INCHI: 1S/C11H15N3O2/c15-14(16)10-6-7-11(12-8-10)13-9-4-2-1-3-5-9/h6-9H,1-5H2,(H,12,13)
• Isómeros SMILES: C1CCC(CC1)NC2=NC=C(C=C2)[N+](=O)[O-]
• Peso molecular: 221.261
• Reaxy-Rn: 397071
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=397071&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • Clase Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Level5 C-nitro compounds
          • Level6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• Clase: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: Secondary alkylarylamines Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - Aminopyridine - Secondary aliphatic/aromatic amine - Pyridine - Imidolactam - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Amine - Organonitrogen compound - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 221.260 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 221.116 Da
• Monoisotopic Mass: 221.116 Da
• Topological Polar Surface Area: 70.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 236.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1