3-chloro-6-[2-(4-ethylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile

C14H20ClN5 — CID 133351338

IUPAC3-chloro-6-[2-(4-ethylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile
SMILESCCN1CCN(CCNc2ccc(Cl)c(C#N)n2)CC1
InChIInChI=1S/C14H20ClN5/c1-2-19-7-9-20(10-8-19)6-5-17-14-4-3-12(15)13(11-16)18-14/h3-4H,2,5-10H2,1H3,(H,17,18)
InChIKeyHWVJLKIZZPOJMX-UHFFFAOYSA-N
MW293.80 g/mol
LogP1.66
Rot. Bonds5

About 3-chloro-6-[2-(4-ethylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile

3-chloro-6-[2-(4-ethylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile (PubChem CID 133351338) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is 3-chloro-6-[2-(4-ethylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[2-(4-ethylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile
PubChem CID133351338
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC Name3-chloro-6-[2-(4-ethylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile
SMILESCCN1CCN(CCNc2ccc(Cl)c(C#N)n2)CC1
InChIInChI=1S/C14H20ClN5/c1-2-19-7-9-20(10-8-19)6-5-17-14-4-3-12(15)13(11-16)18-14/h3-4H,2,5-10H2,1H3,(H,17,18)
InChIKeyHWVJLKIZZPOJMX-UHFFFAOYSA-N
XLogP1.66
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[2-(4-ethylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[2-(4-ethylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile (CID 133351338) is 3-chloro-6-[2-(4-ethylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[2-(4-ethylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[2-(4-ethylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile is CCN1CCN(CCNc2ccc(Cl)c(C#N)n2)CC1.
What is the InChIKey of 3-chloro-6-[2-(4-ethylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is HWVJLKIZZPOJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-2-19-7-9-20(10-8-19)6-5-17-14-4-3-12(15)13(11-16)18-14/h3-4H,2,5-10H2,1H3,(H,17,18).
What are the key properties of 3-chloro-6-[2-(4-ethylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile?
3-chloro-6-[2-(4-ethylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile has a molecular weight of 293.80 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[2-(4-ethylpiperazin-1-yl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133351338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).