4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile

C16H15Cl2N3 — CID 81061197

IUPAC4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCCc2ccc(Cl)cc2Cl)c(C#N)c(C)n1
InChIInChI=1S/C16H15Cl2N3/c1-10-7-16(14(9-19)11(2)21-10)20-6-5-12-3-4-13(17)8-15(12)18/h3-4,7-8H,5-6H2,1-2H3,(H,20,21)
InChIKeySTBPKMCWSMZNPB-UHFFFAOYSA-N
MW320.22 g/mol
LogP4.53
Rot. Bonds4

About 4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile

4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81061197) has the molecular formula C16H15Cl2N3 and a molecular weight of 320.22 g/mol. Its IUPAC name is 4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81061197
Molecular FormulaC16H15Cl2N3
Molecular Weight320.22 g/mol
Exact Mass319.06
IUPAC Name4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCCc2ccc(Cl)cc2Cl)c(C#N)c(C)n1
InChIInChI=1S/C16H15Cl2N3/c1-10-7-16(14(9-19)11(2)21-10)20-6-5-12-3-4-13(17)8-15(12)18/h3-4,7-8H,5-6H2,1-2H3,(H,20,21)
InChIKeySTBPKMCWSMZNPB-UHFFFAOYSA-N
XLogP4.53
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2,4-dichlorophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 43395438
5-[2-(2,4-dichlorophenyl)ethylamino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375694
2,6-dimethyl-4-(2-pyridin-4-ylethylamino)pyridine-3-carbonitrile
CID 81060354
2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
CID 81042656
3-chloro-4-[2-(2,4-dichlorophenyl)ethylamino]benzonitrile
CID 63511428
2,6-dimethyl-4-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-3-carbonitrile
CID 81060304
4-[2-(cyclopenten-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 103844191
4-(but-3-ynylamino)-2-chloro-6-methylpyridine-3-carbonitrile
CID 161239425
4-amino-3-[2-(2,4-dichlorophenyl)ethylamino]benzonitrile
CID 104711386
N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyrimidin-4-amine
CID 62786205
methyl 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]propanoate
CID 81061329
4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81052089

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile (CID 81061197) is 4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(NCCc2ccc(Cl)cc2Cl)c(C#N)c(C)n1.
What is the InChIKey of 4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is STBPKMCWSMZNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3/c1-10-7-16(14(9-19)11(2)21-10)20-6-5-12-3-4-13(17)8-15(12)18/h3-4,7-8H,5-6H2,1-2H3,(H,20,21).
What are the key properties of 4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile?
4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 320.22 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81061197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).