4-[(E)-2-(dimethylamino)ethenyl]-2,6-dimethylpyridine-3-carbonitrile

C12H15N3 — CID 143841340

IUPAC4-[(E)-2-(dimethylamino)ethenyl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(/C=C/N(C)C)c(C#N)c(C)n1
InChIInChI=1S/C12H15N3/c1-9-7-11(5-6-15(3)4)12(8-13)10(2)14-9/h5-7H,1-4H3/b6-5+
InChIKeyJWHRKPQNJOOZOZ-AATRIKPKSA-N
MW201.27 g/mol
LogP2.10
Rot. Bonds2

About 4-[(E)-2-(dimethylamino)ethenyl]-2,6-dimethylpyridine-3-carbonitrile

4-[(E)-2-(dimethylamino)ethenyl]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 143841340) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-[(E)-2-(dimethylamino)ethenyl]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(E)-2-(dimethylamino)ethenyl]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID143841340
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name4-[(E)-2-(dimethylamino)ethenyl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(/C=C/N(C)C)c(C#N)c(C)n1
InChIInChI=1S/C12H15N3/c1-9-7-11(5-6-15(3)4)12(8-13)10(2)14-9/h5-7H,1-4H3/b6-5+
InChIKeyJWHRKPQNJOOZOZ-AATRIKPKSA-N
XLogP2.10
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(E)-2-(dimethylamino)ethenyl]-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

4-[ethyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060716
4-[(4-cyanophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396362
4-[3-aminopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 115319467
6-chloro-4-[(E)-2-(dimethylamino)ethenyl]pyridine-3-carbonitrile
CID 157038112
4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060620
4-[2-cyanopropyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060272
4-ethylsulfanyl-2,6-dimethylpyridine-3-carbonitrile
CID 81052061
2-[2-(dimethylamino)ethenyl]benzonitrile
CID 54125819
2,6-dimethyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]pyridine-3-carbonitrile
CID 81060176
3-[2-(dimethylamino)ethenyl]pyridine-4-carbonitrile
CID 53441182
2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile
CID 81042476
4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060744

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(dimethylamino)ethenyl]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[(E)-2-(dimethylamino)ethenyl]-2,6-dimethylpyridine-3-carbonitrile (CID 143841340) is 4-[(E)-2-(dimethylamino)ethenyl]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[(E)-2-(dimethylamino)ethenyl]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[(E)-2-(dimethylamino)ethenyl]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(/C=C/N(C)C)c(C#N)c(C)n1.
What is the InChIKey of 4-[(E)-2-(dimethylamino)ethenyl]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is JWHRKPQNJOOZOZ-AATRIKPKSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-7-11(5-6-15(3)4)12(8-13)10(2)14-9/h5-7H,1-4H3/b6-5+.
What are the key properties of 4-[(E)-2-(dimethylamino)ethenyl]-2,6-dimethylpyridine-3-carbonitrile?
4-[(E)-2-(dimethylamino)ethenyl]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 201.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(dimethylamino)ethenyl]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 143841340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).