Compound Identification
SMILES
OC(=O)C1=CC=C(CNC2=NC(N3CCN(CC3)C3=CC=CC(=C3)C(F)(F)F)=C(C=C2)[N+]([O-])=O)C=C1
InChIKey
InChIKey=BPQQQNQPBWCDQS-UHFFFAOYSA-N
Formula
C24H22F3N5O4
Mass
501.466
Taxonomic Classification
Taxonomy Tree
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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
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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
Pyridinylpiperazines N-arylpiperazines Phenylpiperazines Trifluoromethylbenzenes Benzoic acids Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Nitroaromatic compounds Aminopyridines and derivatives Secondary alkylarylamines Imidolactams Heteroaromatic compounds Amino acids Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Azacyclic compounds Organic oxides Alkyl fluorides Hydrocarbon derivatives Organic salts Organic zwitterions Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-benzylaminopyridine - Phenylpiperazine - Pyridinylpiperazine - N-arylpiperazine - Trifluoromethylbenzene - Benzoic acid or derivatives - Benzoic acid - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Aminopyridine - Secondary aliphatic/aromatic amine - 1,4-diazinane - Piperazine - Pyridine - Imidolactam - Heteroaromatic compound - Amino acid or derivatives - Amino acid - C-nitro compound - Organic nitro compound - Tertiary amine - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxoazanium - Secondary amine - Azacycle - Organohalogen compound - Organic zwitterion - Alkyl fluoride - Organic nitrogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alkyl halide - Amine - Organic oxide - Organic salt - 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