4-Acetamidopyridine - ≥98% , CAS No.5221-42-1

CAS: 5221-42-1 Cat. No.: A151787 Molecular Weight: 136.15 Beilstein Registry Number: 22(5)9,131 EC Number: 226-018-0

GRADE & PURITY ≥98%

Synonyms

F1018-1441 | Pyridine, 4-acetamido- | AKOS000281984 | 4-(Acetylamino)pyridine | BRN 0113907 | N-Pyridin-4-ylacetamide | EINECS 226-018-0 | D88476 | DTXSID30200258 | N-(4-Pyridyl)acetamide | STK050992 | Acetamide, N-4-pyridinyl- (9CI) | N-(pyridin-4-yl)ace

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

F1018-1441 | Pyridine, 4-acetamido- | AKOS000281984 | 4-(Acetylamino)pyridine | BRN 0113907 | N-Pyridin-4-ylacetamide | EINECS 226-018-0 | D88476 | DTXSID30200258 | N-(4-Pyridyl)acetamide | STK050992 | Acetamide, N-4-pyridinyl- (9CI) | N-(pyridin-4-yl)ace

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488182680
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182680
• Canonical Smiles: CC(=O)NC1=CC=NC=C1
• IUPAC Name: N-pyridin-4-ylacetamide
• InChIKey: BIJAWQUBRNHZGE-UHFFFAOYSA-N
• INCHI: 1S/C7H8N2O/c1-6(10)9-7-2-4-8-5-3-7/h2-5H,1H3,(H,8,9,10)
• Isomeric SMILES: CC(=O)NC1=CC=NC=C1
• RTECS: AC7875000
• Molecular Weight: 136.15
• Beilstein: 22(5)9,131
• Reaxy-Rn: 113907
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=113907&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass N-arylamides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: N-arylamides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-acetylarylamines
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acetylarylamine - Pyridine - Heteroaromatic compound - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acetylarylamines. These are acetamides where one or more amide hydrogens is substituted by an aryl 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Air Sensitive
• Melt Point(°C): 152 °C
• Molecular Weight: 136.150 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.064 Da
• Monoisotopic Mass: 136.064 Da
• Topological Polar Surface Area: 42.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 119.000
• 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