N-(2-Cyanophenyl)-4-(2-pyridinyl)-1-piperazineacetamide - ≥90% , CAS No.329779-50-2

CAS: 329779-50-2 Cat. No.: N988068 Peso molecular: 321.400

GRADE & PURITY ≥90%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥90%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥90%

Nombres e identificadores

• Sonrisas canónicas: C1CN(CCN1CC(=O)NC2=CC=CC=C2C#N)C3=CC=CC=N3
• IUPAC Name: N-(2-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
• InChIKey: AOTLSYHIAFULIU-UHFFFAOYSA-N
• INCHI: 1S/C18H19N5O/c19-13-15-5-1-2-6-16(15)21-18(24)14-22-9-11-23(12-10-22)17-7-3-4-8-20-17/h1-8H,9-12,14H2,(H,21,24)
• Peso molecular: 321.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: Alpha amino acid amides N-arylpiperazines N-piperazineacetamides Anilides Benzonitriles Dialkylarylamines N-arylamides N-alkylpiperazines Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Trialkylamines Azacyclic compounds Nitriles Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-amino acid amide - Pyridinylpiperazine - N-arylpiperazine - Alpha-amino acid or derivatives - N-piperazineacetamide - Anilide - Benzonitrile - N-arylamide - Dialkylarylamine - Aminopyridine - N-alkylpiperazine - Monocyclic benzene moiety - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Azacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
• 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

Propiedades químicas y físicas

• Peso molecular: 321.400 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 321.159 Da
• Monoisotopic Mass: 321.159 Da
• Topological Polar Surface Area: 72.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 465.000
• 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