Compound Identification
SMILES
[Cl-].CCCSc1[nH+]cccc1C(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N
InChIKey
InChIKey=WMLNMBJUEBCEMZ-UHFFFAOYSA-N
Formula
C21H23ClFN5OS
Mass
447.96
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzylamines
- Level 5 2-benzylaminopyridines
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Subclass
Benzylamines
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzylamines
Intermediate Tree Nodes
Not available
Direct Parent
2-benzylaminopyridines
Alternative Parents
Nicotinamides Alkylarylthioethers Aminopyridines and derivatives Fluorobenzenes Vinylogous thioesters Pyridinium derivatives Aryl fluorides Imidolactams Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic chloride salts Organic oxides Organic zwitterions Organofluorides Organooxygen compounds Organopnictogen compounds Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-benzylaminopyridine - Nicotinamide - Pyridine carboxylic acid or derivatives - Aryl thioether - Aminopyridine - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl fluoride - Aryl halide - Pyridine - Pyridinium - Imidolactam - Vinylogous thioester - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Sulfenyl compound - Thioether - Organoheterocyclic compound - Carboxylic acid derivative - Organic salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Primary amine - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic chloride salt - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-benzylaminopyridines. These are aromatic compounds containing pyridine ring substituted at the 2-position by a benzylamine group.
External Descriptors
Not available