4-(2-ethylanilino)-2,6-dimethylpyridine-3-carbonitrile

C16H17N3 — CID 81060340

IUPAC4-(2-ethylanilino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCCc1ccccc1Nc1cc(C)nc(C)c1C#N
InChIInChI=1S/C16H17N3/c1-4-13-7-5-6-8-15(13)19-16-9-11(2)18-12(3)14(16)10-17/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyVNEQCZXWELFMIV-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.88
Rot. Bonds3

About 4-(2-ethylanilino)-2,6-dimethylpyridine-3-carbonitrile

4-(2-ethylanilino)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81060340) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(2-ethylanilino)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-ethylanilino)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81060340
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name4-(2-ethylanilino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCCc1ccccc1Nc1cc(C)nc(C)c1C#N
InChIInChI=1S/C16H17N3/c1-4-13-7-5-6-8-15(13)19-16-9-11(2)18-12(3)14(16)10-17/h5-9H,4H2,1-3H3,(H,18,19)
InChIKeyVNEQCZXWELFMIV-UHFFFAOYSA-N
XLogP3.88
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-ethylanilino)-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-(2-cyano-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 107805419
4-(3-bromo-2-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 107635030
N-[4-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-methylpropanamide
CID 133396343
2,6-dimethyl-4-(2,4,5-trichloroanilino)pyridine-3-carbonitrile
CID 81060425
2,6-dimethyl-4-[4-(2-methylsulfonylethyl)anilino]pyridine-3-carbonitrile
CID 133398006
4-[[6-(2-ethylanilino)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877571
2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile
CID 81060441
N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336209
2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile
CID 81061203
N-(2-ethylphenyl)-8-methoxy-2-methylquinolin-4-amine;dihydrochloride
CID 45125627
4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81042969
4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 115282671

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylanilino)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(2-ethylanilino)-2,6-dimethylpyridine-3-carbonitrile (CID 81060340) is 4-(2-ethylanilino)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-ethylanilino)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(2-ethylanilino)-2,6-dimethylpyridine-3-carbonitrile is CCc1ccccc1Nc1cc(C)nc(C)c1C#N.
What is the InChIKey of 4-(2-ethylanilino)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is VNEQCZXWELFMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-4-13-7-5-6-8-15(13)19-16-9-11(2)18-12(3)14(16)10-17/h5-9H,4H2,1-3H3,(H,18,19).
What are the key properties of 4-(2-ethylanilino)-2,6-dimethylpyridine-3-carbonitrile?
4-(2-ethylanilino)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylanilino)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81060340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).