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N-(5-Cyano-2-methylpyridin-3-yl)acetamide - 95%, high purity , CAS No.1628557-05-0
Discover N-(5-Cyano-2-methylpyridin-3-yl)acetamide by Aladdin Scientific in 95% for only $627.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
N-(5-Cyano-2-methylpyridin-3-yl)acetamide | 1628557-05-0 | Acetamide, N-(5-cyano-2-methyl-3-pyridinyl)- | DTXSID501259190 | AKOS024463826 | DS-7432 | CS-0153428 | C73131 | A911088
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
N-arylamides
Intermediate Tree Nodes
Not available
Direct Parent
N-acetylarylamines
Alternative Parents
3-pyridinecarbonitriles Methylpyridines Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acetylarylamine - 3-pyridinecarbonitrile - Methylpyridine - Pyridine - Acetamide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Carboxylic acid derivative - Carbonyl group - Cyanide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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.
Names and Identifiers
IUPAC Name
N-(5-cyano-2-methylpyridin-3-yl)acetamide
INCHI
InChI=1S/C9H9N3O/c1-6-9(12-7(2)13)3-8(4-10)5-11-6/h3,5H,1-2H3,(H,12,13)
InChIKey
UZDRNZWIJYQWBB-UHFFFAOYSA-N
Smiles
CC1=C(C=C(C=N1)C#N)NC(=O)C
Isomeric SMILES
CC1=C(C=C(C=N1)C#N)NC(=O)C
PubChem CID
86280283
Molecular Weight
175.19
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
175.190 g/mol
XLogP3
0.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
175.075 Da
Monoisotopic Mass
175.075 Da
Topological Polar Surface Area
65.800 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
242.000
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
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