Compound Identification
SMILES
CC(CCNC(=O)C1=C(Cl)C=C[N+]([O-])=C1Cl)N1CCC(CC1)C(OC1=CC=CC=N1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=KVURSBPSQBHVGO-UHFFFAOYSA-N
Formula
C27H29BrCl2N4O3
Mass
608.36
Taxonomic Classification
Taxonomy Tree
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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
Polyhalopyridines 2-halopyridines Alkyl aryl ethers Aralkylamines Bromobenzenes Aryl bromides Aryl chlorides Piperidines Pyridinium derivatives Heteroaromatic compounds Vinylogous amides Vinylogous halides Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Organobromides Organochlorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nicotinamide - Polyhalopyridine - Alkyl aryl ether - 2-halopyridine - Bromobenzene - Aralkylamine - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Pyridinium - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Ether - Organic salt - Organooxygen compound - Amine - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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