3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile

C15H11ClN4 — CID 133333173

IUPAC3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile
SMILESCC(Nc1ccc(Cl)c(C#N)n1)c1cccc(C#N)c1
InChIInChI=1S/C15H11ClN4/c1-10(12-4-2-3-11(7-12)8-17)19-15-6-5-13(16)14(9-18)20-15/h2-7,10H,1H3,(H,19,20)
InChIKeyAKCVMBSCMRUEIV-UHFFFAOYSA-N
MW282.73 g/mol
LogP3.65
Rot. Bonds3

About 3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile

3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile (PubChem CID 133333173) has the molecular formula C15H11ClN4 and a molecular weight of 282.73 g/mol. Its IUPAC name is 3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile
PubChem CID133333173
Molecular FormulaC15H11ClN4
Molecular Weight282.73 g/mol
Exact Mass282.07
IUPAC Name3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile
SMILESCC(Nc1ccc(Cl)c(C#N)n1)c1cccc(C#N)c1
InChIInChI=1S/C15H11ClN4/c1-10(12-4-2-3-11(7-12)8-17)19-15-6-5-13(16)14(9-18)20-15/h2-7,10H,1H3,(H,19,20)
InChIKeyAKCVMBSCMRUEIV-UHFFFAOYSA-N
XLogP3.65
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-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

3-[1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]benzonitrile
CID 133333103
6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile
CID 133333165
2-chloro-5-[1-(3-cyanophenyl)ethylamino]benzonitrile
CID 43781788
3-[1-(3,4-dichlorophenyl)ethylamino]benzonitrile
CID 43106768
3-[1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]benzonitrile
CID 133333085
3-[1-(3-cyanoanilino)ethyl]benzonitrile
CID 43762552
6-[1-(1-benzylpyrazol-4-yl)ethylamino]-3-chloropyridine-2-carbonitrile
CID 133416856
2-chloro-6-[1-(3-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83072975
2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile
CID 83072667
3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile
CID 103467281
3-(1-hydrazinylethyl)benzonitrile
CID 63990931
3-[1-(2,4,6-trimethylanilino)ethyl]benzonitrile
CID 60924468

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile (CID 133333173) is 3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile is CC(Nc1ccc(Cl)c(C#N)n1)c1cccc(C#N)c1.
What is the InChIKey of 3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is AKCVMBSCMRUEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4/c1-10(12-4-2-3-11(7-12)8-17)19-15-6-5-13(16)14(9-18)20-15/h2-7,10H,1H3,(H,19,20).
What are the key properties of 3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile?
3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile has a molecular weight of 282.73 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133333173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).