Compound Identification
SMILES
COCCNC(=O)C1CCCN(CC1)C(=O)C1=CC(Br)=CN=C1
InChIKey
InChIKey=RKOHZAPLIMVTAT-UHFFFAOYSA-N
Formula
C16H22BrN3O3
Mass
384.274
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyridinecarboxylic acids and derivatives
Alternative Parents
Azepanes Aryl bromides Tertiary carboxylic acid amides Heteroaromatic compounds Tertiary amines Secondary carboxylic acid amides Amino acids and derivatives Dialkyl ethers Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyridine carboxylic acid or derivatives - Azepane - Aryl bromide - Aryl halide - Heteroaromatic compound - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridinecarboxylic acids and derivatives. These are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof.
External Descriptors
Not available