Compound Identification
SMILES
OC(=O)C(F)(F)F.O=C(NC1=C(N=CC=C1)C1=CCCCC1)C1=NC=C(N1)C#N
InChIKey
InChIKey=NMLSKBNILPFNIY-UHFFFAOYSA-N
Formula
C18H16F3N5O3
Mass
407.353
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Carboxylic acids and derivatives
-
Subclass
Carboxylic acid derivatives
-
Level 5
Carboxylic acid amides
- Level 6 2-heteroaryl carboxamides
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Level 5
Carboxylic acid amides
-
Subclass
Carboxylic acid derivatives
-
Class
Carboxylic acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Carboxylic acid derivatives
Intermediate Tree Nodes
Carboxylic acid amides
Direct Parent
2-heteroaryl carboxamides
Alternative Parents
Pyridines and derivatives Imidazoles Heteroaromatic compounds Alpha-halocarboxylic acids Secondary carboxylic acid amides Nitriles Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
Molecular Framework
Not available
Substituents
2-heteroaryl carboxamide - Pyridine - Alpha-halocarboxylic acid - Alpha-halocarboxylic acid or derivatives - Azole - Imidazole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxylic acid - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Cyanide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2-heteroaryl carboxamides. These are compounds containing a heteroaromatic ring that carries a carboxamide group.
External Descriptors
Not available