4-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile

C19H19N5O2S — CID 133396512

IUPAC4-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C#N)c(C)n1
InChIInChI=1S/C19H19N5O2S/c1-14-11-19(18(13-21)15(2)22-14)23-7-9-24(10-8-23)27(25,26)17-5-3-16(12-20)4-6-17/h3-6,11H,7-10H2,1-2H3
InChIKeyAKTPVWGTYSYJSK-UHFFFAOYSA-N
MW381.46 g/mol
LogP1.95
Rot. Bonds3

About 4-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile

4-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 133396512) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 4-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID133396512
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name4-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C#N)c(C)n1
InChIInChI=1S/C19H19N5O2S/c1-14-11-19(18(13-21)15(2)22-14)23-7-9-24(10-8-23)27(25,26)17-5-3-16(12-20)4-6-17/h3-6,11H,7-10H2,1-2H3
InChIKeyAKTPVWGTYSYJSK-UHFFFAOYSA-N
XLogP1.95
TPSA101.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 133396526
4-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 133396407
4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 133396530
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 3436716
4-acetyl-3-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]benzonitrile
CID 133466185
2,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carbonitrile
CID 81060173
4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]sulfonylbenzonitrile
CID 26541847
4-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 122337914
2,6-dimethyl-4-[(4-piperidin-1-ylsulfonylphenyl)methylamino]pyridine-3-carbonitrile
CID 133396475
4-[4-(4-piperidin-1-ylsulfonylphenyl)sulfonyl-1,4-diazepan-1-yl]benzonitrile
CID 55703622
4-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 122338679
4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 81042005

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile (CID 133396512) is 4-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C#N)c(C)n1.
What is the InChIKey of 4-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is AKTPVWGTYSYJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-14-11-19(18(13-21)15(2)22-14)23-7-9-24(10-8-23)27(25,26)17-5-3-16(12-20)4-6-17/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 4-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile?
4-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 381.46 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-cyanophenyl)sulfonylpiperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 133396512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).