Compound Identification
SMILES
O=C1O[C@H](CC2=CC=NC=C2)C(=O)C1=C1NCCN1
InChIKey
InChIKey=PVZREQUTBLBDSF-SECBINFHSA-N
Formula
C13H13N3O3
Mass
259.265
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyridines and derivatives
Alternative Parents
Gamma butyrolactones Furanones Vinylogous amides Tetrahydrofurans Imidazolidines Heteroaromatic compounds Enoate esters Amino acids and derivatives Ketene acetals Cyclic ketones Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3-furanone - Gamma butyrolactone - Pyridine - Imidazolidine - Tetrahydrofuran - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Heteroaromatic compound - Carboxylic acid ester - Ketene acetal or derivatives - Cyclic ketone - Amino acid or derivatives - Ketone - Lactone - Oxacycle - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Monocarboxylic acid or derivatives - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
External Descriptors
Not available