2-[1-(2-aminophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile

C16H18N4 — CID 60871389

IUPAC2-[1-(2-aminophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NC(C)c2ccccc2N)n1
InChIInChI=1S/C16H18N4/c1-10-8-11(2)19-16(14(10)9-17)20-12(3)13-6-4-5-7-15(13)18/h4-8,12H,18H2,1-3H3,(H,19,20)
InChIKeyJALPYAFNZOLRSZ-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.33
Rot. Bonds3

About 2-[1-(2-aminophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile

2-[1-(2-aminophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 60871389) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[1-(2-aminophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(2-aminophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
PubChem CID60871389
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name2-[1-(2-aminophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(NC(C)c2ccccc2N)n1
InChIInChI=1S/C16H18N4/c1-10-8-11(2)19-16(14(10)9-17)20-12(3)13-6-4-5-7-15(13)18/h4-8,12H,18H2,1-3H3,(H,19,20)
InChIKeyJALPYAFNZOLRSZ-UHFFFAOYSA-N
XLogP3.33
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[1-(2-aminophenyl)ethylamino]-4,6-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

4,6-dimethyl-2-[1-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
CID 60704126
2-[1-(2-aminophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114770295
4,6-dimethyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbonitrile
CID 62840867
3-[1-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]ethyl]benzenesulfonamide
CID 71862589
6-methyl-2-N-[1-(2-methylphenyl)ethyl]pyridine-2,3-diamine
CID 81132205
4,6-dimethyl-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 63612589
4,6-dimethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile
CID 60667183
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-4,6-dimethylpyridine-3-carbonitrile
CID 79249172
4,6-dimethyl-2-(pent-1-yn-3-ylamino)pyridine-3-carbonitrile
CID 106230781
2-[1-(2-aminophenyl)ethylamino]-4-methylbenzonitrile
CID 62308355
(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
CID 11008385
2-[1-(2-aminophenyl)ethylamino]-3-chloropyridine-4-carbonitrile
CID 107061450

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-aminophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-[1-(2-aminophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile (CID 60871389) is 2-[1-(2-aminophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(2-aminophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(2-aminophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(NC(C)c2ccccc2N)n1.
What is the InChIKey of 2-[1-(2-aminophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is JALPYAFNZOLRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-10-8-11(2)19-16(14(10)9-17)20-12(3)13-6-4-5-7-15(13)18/h4-8,12H,18H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-(2-aminophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile?
2-[1-(2-aminophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 266.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-aminophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 60871389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).