Compound Identification
SMILES
CCN(CC)C1=CC=C(C=NNC(=O)COC2=C(C#N)C(COC)=CC(C)=N2)C=C1
InChIKey
InChIKey=YZPKBCBLKUUMCK-UHFFFAOYSA-N
Formula
C22H27N5O3
Mass
409.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyridines and derivatives
- Subclass 3-pyridinecarbonitriles
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Class
Pyridines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
3-pyridinecarbonitriles
Intermediate Tree Nodes
Not available
Direct Parent
3-pyridinecarbonitriles
Alternative Parents
Dialkylarylamines Aniline and substituted anilines Methylpyridines Alkyl aryl ethers Heteroaromatic compounds Amino acids and derivatives Nitriles Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Tertiary aliphatic/aromatic amine - 3-pyridinecarbonitrile - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - Methylpyridine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Carboxylic acid derivative - Dialkyl ether - Ether - Carbonitrile - Nitrile - Azacycle - Organic oxygen compound - Amine - Organic nitrogen compound - Cyanide - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile group.
External Descriptors
Not available