2-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile

C14H12ClN3 — CID 55021440

IUPAC2-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile
SMILESCC(Nc1cc(C#N)ccn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3/c1-10(12-2-4-13(15)5-3-12)18-14-8-11(9-16)6-7-17-14/h2-8,10H,1H3,(H,17,18)
InChIKeyCBWYSSNTWZMCOD-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.78
Rot. Bonds3

About 2-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile

2-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile (PubChem CID 55021440) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile
PubChem CID55021440
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name2-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile
SMILESCC(Nc1cc(C#N)ccn1)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClN3/c1-10(12-2-4-13(15)5-3-12)18-14-8-11(9-16)6-7-17-14/h2-8,10H,1H3,(H,17,18)
InChIKeyCBWYSSNTWZMCOD-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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile (CID 55021440) is 2-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile is CC(Nc1cc(C#N)ccn1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile?
The InChIKey is CBWYSSNTWZMCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-10(12-2-4-13(15)5-3-12)18-14-8-11(9-16)6-7-17-14/h2-8,10H,1H3,(H,17,18).
What are the key properties of 2-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile?
2-[1-(4-chlorophenyl)ethylamino]pyridine-4-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 2-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 55021440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).