4-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile

C21H24N4O2S — CID 58211666

IUPAC4-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(S(=O)(=O)N3CCC(N4CCCC4)CC3)n2)cc1
InChIInChI=1S/C21H24N4O2S/c22-16-17-6-8-18(9-7-17)20-4-3-5-21(23-20)28(26,27)25-14-10-19(11-15-25)24-12-1-2-13-24/h3-9,19H,1-2,10-15H2
InChIKeyPCUOBHSMOPRVIS-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.87
Rot. Bonds4

About 4-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile

4-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile (PubChem CID 58211666) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 4-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile
PubChem CID58211666
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name4-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(S(=O)(=O)N3CCC(N4CCCC4)CC3)n2)cc1
InChIInChI=1S/C21H24N4O2S/c22-16-17-6-8-18(9-7-17)20-4-3-5-21(23-20)28(26,27)25-14-10-19(11-15-25)24-12-1-2-13-24/h3-9,19H,1-2,10-15H2
InChIKeyPCUOBHSMOPRVIS-UHFFFAOYSA-N
XLogP2.87
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[3-(6-Methyl-2-pyridinyl)prop-2-ynylidene]piperidin-1-yl]sulfonylbenzonitrile
CID 25181802
4-[6-(4-Phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile
CID 58210558
4-[6-[3-(Azetidin-1-yl)pyrrolidin-1-yl]sulfonyl-2-pyridinyl]benzonitrile
CID 58210578
2-(4-Methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine
CID 58210632
4-[6-(3-Morpholin-4-ylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile
CID 58210755
2-(3-Fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine
CID 58210815
2-(4-Methylpiperidin-1-yl)sulfonyl-6-(4-propan-2-ylphenyl)pyridine
CID 58210955
4-[6-(4-Methylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile
CID 58210998
4-[6-(3-Piperidin-1-ylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile
CID 58211042
2-Phenyl-6-(4-phenylpiperidin-1-yl)sulfonylpyridine
CID 58211112
4-[6-(2-Phenylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile
CID 58211270
4-[6-(4-Cyclohexylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile
CID 58211430

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile?
The IUPAC name of 4-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile (CID 58211666) is 4-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile?
The canonical SMILES for 4-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile is N#Cc1ccc(-c2cccc(S(=O)(=O)N3CCC(N4CCCC4)CC3)n2)cc1.
What is the InChIKey of 4-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile?
The InChIKey is PCUOBHSMOPRVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c22-16-17-6-8-18(9-7-17)20-4-3-5-21(23-20)28(26,27)25-14-10-19(11-15-25)24-12-1-2-13-24/h3-9,19H,1-2,10-15H2.
What are the key properties of 4-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile?
4-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile has a molecular weight of 396.52 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile is sourced from PubChem (CID 58211666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).