5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile

C14H12ClN3 — CID 79840053

IUPAC5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile
SMILESCC(Nc1ccc(C#N)nc1)c1ccccc1Cl
InChIInChI=1S/C14H12ClN3/c1-10(13-4-2-3-5-14(13)15)18-12-7-6-11(8-16)17-9-12/h2-7,9-10,18H,1H3
InChIKeyGKPBOUUDWZDUEC-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.78
Rot. Bonds3

About 5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile

5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile (PubChem CID 79840053) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile
PubChem CID79840053
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile
SMILESCC(Nc1ccc(C#N)nc1)c1ccccc1Cl
InChIInChI=1S/C14H12ClN3/c1-10(13-4-2-3-5-14(13)15)18-12-7-6-11(8-16)17-9-12/h2-7,9-10,18H,1H3
InChIKeyGKPBOUUDWZDUEC-UHFFFAOYSA-N
XLogP3.78
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[1-(2-chlorophenyl)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

6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine
CID 113228015
N-[1-(2-chlorophenyl)ethyl]-6-methoxypyridin-3-amine
CID 43189825
2-[4-[1-(2-chlorophenyl)ethylamino]phenoxy]acetonitrile
CID 43181580
N-[1-(2-chlorophenyl)ethyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 43689544
N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 141011393
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 31585319
5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653
5-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]pyridine-2-carbonitrile
CID 164632004
[(1S)-1-(2-chlorophenyl)ethyl]cyanamide
CID 81378997
[(1R)-1-(2-chlorophenyl)ethyl]cyanamide
CID 81378616
2-[1-(2-chlorophenyl)ethylamino]-6-methylpyridine-4-carbonitrile
CID 114766018
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile (CID 79840053) is 5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile is CC(Nc1ccc(C#N)nc1)c1ccccc1Cl.
What is the InChIKey of 5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is GKPBOUUDWZDUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-10(13-4-2-3-5-14(13)15)18-12-7-6-11(8-16)17-9-12/h2-7,9-10,18H,1H3.
What are the key properties of 5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile?
5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile has a molecular weight of 257.72 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 79840053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).