Compound Identification
SMILES
[I-].C[N+]1=CC=CC(=C1)C(=O)NCC(CNCC(C)(C)S)NCC(C)(C)S
InChIKey
InChIKey=VDWKOMXDKGABLG-UHFFFAOYSA-N
Formula
C18H33IN4OS2
Mass
512.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridines and derivatives
-
Subclass
Pyridinecarboxylic acids and derivatives
-
Level 5
Pyridinecarboxamides
- Level 6 Nicotinamides
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Level 5
Pyridinecarboxamides
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Subclass
Pyridinecarboxylic acids and derivatives
-
Class
Pyridines and derivatives
-
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
N-methylpyridinium compounds Pyridinium derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Azacyclic compounds Alkylthiols Organooxygen compounds Organic zwitterions Organic oxides Organic iodide salts Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nicotinamide - N-methylpyridinium - Pyridinium - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Alkylthiol - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Amine - Organic oxygen compound - Organic zwitterion - Organic salt - Organic iodide salt - 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