Compound Identification
SMILES
OCC(O)CNC(=O)CN1C=C(I)C(=N1)C(=O)NCC(O)CO
InChIKey
InChIKey=AYQSTUAFJLIQME-UHFFFAOYSA-N
Formula
C12H19IN4O6
Mass
442.21
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
Pyrazole-5-carboxamides Aryl iodides Vinylogous halides Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-heteroaryl carboxamide - Pyrazole-5-carboxamide - Aryl halide - Aryl iodide - Azole - Pyrazole - Heteroaromatic compound - Vinylogous halide - Secondary alcohol - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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