Compound Identification
SMILES
OC(=O)C1=CC=C(COC2=C(I)C=C(C=NNC(=O)C3=C(Cl)N=CC=C3)C=C2)C=C1
InChIKey
InChIKey=PMWOYQUWNDBMDN-UHFFFAOYSA-N
Formula
C21H15ClIN3O4
Mass
535.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
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Subclass
Pyridinecarboxylic acids and derivatives
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Level 5
Pyridinecarboxamides
- Level 6 Nicotinamides
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Level 5
Pyridinecarboxamides
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Subclass
Pyridinecarboxylic acids and derivatives
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Class
Pyridines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes
Pyridinecarboxamides
Direct Parent
Nicotinamides
Alternative Parents
Benzoic acids Polyhalopyridines Phenoxy compounds Phenol ethers Benzoyl derivatives Iodobenzenes Hydroxypyridines Heterocyclic fatty acids Halogenated fatty acids Branched fatty acids Alkyl aryl ethers 2-halopyridines Unsaturated fatty acids Vinylogous halides Heteroaromatic compounds Vinyl iodides Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Iodoalkenes Chloroalkenes Carboxylic acids Azacyclic compounds Aldimines Organopnictogen compounds Organoiodides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nicotinamide - Benzoic acid - Benzoic acid or derivatives - Phenoxy compound - Polyhalopyridine - Phenol ether - Benzoyl - 2-halopyridine - Hydroxypyridine - Iodobenzene - Heterocyclic fatty acid - Halogenated fatty acid - Halobenzene - Branched fatty acid - Alkyl aryl ether - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous halide - Azacycle - Iodoalkene - Chloroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl iodide - Vinyl halide - Vinyl chloride - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Imine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group.
External Descriptors
Not available