Compound Identification
SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C(NC1=C(C=C(C=N1)C1=CN(N=C1)C1CCNCC1)C1=NC2=CC=CC=C2O1)C1=CC=CC=C1
InChIKey
InChIKey=OKRKSZFHFIWIFR-UHFFFAOYSA-N
Formula
C31H28F6N6O5
Mass
678.592
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
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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
Pyrazolylpyridines Benzoxazoles Secondary alkylarylamines Aminopyridines and derivatives Piperidines Imidolactams Alpha-halocarboxylic acids Pyrazoles Oxazoles Heteroaromatic compounds Azacyclic compounds Dialkylamines Carboxylic acids Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organic oxides Organofluorides
Molecular Framework
Not available
Substituents
2-benzylaminopyridine - 3-pyrazolylpyridine - Benzoxazole - Aminopyridine - Secondary aliphatic/aromatic amine - Piperidine - Pyridine - Imidolactam - Alpha-halocarboxylic acid - Heteroaromatic compound - Pyrazole - Alpha-halocarboxylic acid or derivatives - Oxazole - Azole - Organoheterocyclic compound - Secondary amine - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Amine - Alkyl fluoride - Organic oxide - Alkyl halide - Aromatic heteropolycyclic 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