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

C15H12N4 — CID 133333165

IUPAC6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ccc(C#N)cn1)c1cccc(C#N)c1
InChIInChI=1S/C15H12N4/c1-11(14-4-2-3-12(7-14)8-16)19-15-6-5-13(9-17)10-18-15/h2-7,10-11H,1H3,(H,18,19)
InChIKeyFQOLDQICZVNSHH-UHFFFAOYSA-N
MW248.29 g/mol
LogP3.00
Rot. Bonds3

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

6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile (PubChem CID 133333165) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile
PubChem CID133333165
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ccc(C#N)cn1)c1cccc(C#N)c1
InChIInChI=1S/C15H12N4/c1-11(14-4-2-3-12(7-14)8-16)19-15-6-5-13(9-17)10-18-15/h2-7,10-11H,1H3,(H,18,19)
InChIKeyFQOLDQICZVNSHH-UHFFFAOYSA-N
XLogP3.00
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93318179
3-[1-(pyrido[2,3-b]pyrazin-6-ylamino)ethyl]benzonitrile
CID 133333103
3-chloro-6-[1-(3-cyanophenyl)ethylamino]pyridine-2-carbonitrile
CID 133333173
3-[1-(3-cyanoanilino)ethyl]benzonitrile
CID 43762552
6-[1-(4-methyl-3-nitrophenyl)ethylamino]pyridine-3-carbonitrile
CID 122146778
3-[1-[[6-(dimethylamino)-3-pyridinyl]amino]ethyl]benzonitrile
CID 43782624
3-[1-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]ethyl]benzonitrile
CID 133333085
3-[1-(thiadiazol-5-ylamino)ethyl]benzonitrile
CID 107649329
3-(1-hydrazinylethyl)benzonitrile
CID 63990931
3-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]benzonitrile
CID 112859405
3-[1-(2,4,6-trimethylanilino)ethyl]benzonitrile
CID 60924468
6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 103946676

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile (CID 133333165) is 6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile is CC(Nc1ccc(C#N)cn1)c1cccc(C#N)c1.
What is the InChIKey of 6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is FQOLDQICZVNSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c1-11(14-4-2-3-12(7-14)8-16)19-15-6-5-13(9-17)10-18-15/h2-7,10-11H,1H3,(H,18,19).
What are the key properties of 6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile?
6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 133333165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).