3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile

C16H19ClN6O — CID 133311387

IUPAC3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile
SMILESCCc1noc(C(C)N2CCN(c3ccc(Cl)c(C#N)n3)CC2)n1
InChIInChI=1S/C16H19ClN6O/c1-3-14-20-16(24-21-14)11(2)22-6-8-23(9-7-22)15-5-4-12(17)13(10-18)19-15/h4-5,11H,3,6-9H2,1-2H3
InChIKeyPHFNYAKAYMHIDT-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.44
Rot. Bonds4

About 3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile

3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile (PubChem CID 133311387) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is 3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile
PubChem CID133311387
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC Name3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile
SMILESCCc1noc(C(C)N2CCN(c3ccc(Cl)c(C#N)n3)CC2)n1
InChIInChI=1S/C16H19ClN6O/c1-3-14-20-16(24-21-14)11(2)22-6-8-23(9-7-22)15-5-4-12(17)13(10-18)19-15/h4-5,11H,3,6-9H2,1-2H3
InChIKeyPHFNYAKAYMHIDT-UHFFFAOYSA-N
XLogP2.44
TPSA82.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile (CID 133311387) is 3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile is CCc1noc(C(C)N2CCN(c3ccc(Cl)c(C#N)n3)CC2)n1.
What is the InChIKey of 3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile?
The InChIKey is PHFNYAKAYMHIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O/c1-3-14-20-16(24-21-14)11(2)22-6-8-23(9-7-22)15-5-4-12(17)13(10-18)19-15/h4-5,11H,3,6-9H2,1-2H3.
What are the key properties of 3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile?
3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile has a molecular weight of 346.82 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 133311387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).