4-[6-[4-(dimethylamino)piperidin-1-yl]sulfonyl-2-pyridinyl]benzonitrile

C19H22N4O2S — CID 58211235

IUPAC4-[6-[4-(dimethylamino)piperidin-1-yl]sulfonyl-2-pyridinyl]benzonitrile
SMILESCN(C)C1CCN(S(=O)(=O)c2cccc(-c3ccc(C#N)cc3)n2)CC1
InChIInChI=1S/C19H22N4O2S/c1-22(2)17-10-12-23(13-11-17)26(24,25)19-5-3-4-18(21-19)16-8-6-15(14-20)7-9-16/h3-9,17H,10-13H2,1-2H3
InChIKeyUBGWRILMPCGGCS-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.33
Rot. Bonds4

About 4-[6-[4-(dimethylamino)piperidin-1-yl]sulfonyl-2-pyridinyl]benzonitrile

4-[6-[4-(dimethylamino)piperidin-1-yl]sulfonyl-2-pyridinyl]benzonitrile (PubChem CID 58211235) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 4-[6-[4-(dimethylamino)piperidin-1-yl]sulfonyl-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[6-[4-(dimethylamino)piperidin-1-yl]sulfonyl-2-pyridinyl]benzonitrile
PubChem CID58211235
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name4-[6-[4-(dimethylamino)piperidin-1-yl]sulfonyl-2-pyridinyl]benzonitrile
SMILESCN(C)C1CCN(S(=O)(=O)c2cccc(-c3ccc(C#N)cc3)n2)CC1
InChIInChI=1S/C19H22N4O2S/c1-22(2)17-10-12-23(13-11-17)26(24,25)19-5-3-4-18(21-19)16-8-6-15(14-20)7-9-16/h3-9,17H,10-13H2,1-2H3
InChIKeyUBGWRILMPCGGCS-UHFFFAOYSA-N
XLogP2.33
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(dimethylamino)piperidin-1-yl]sulfonyl-2-pyridinyl]benzonitrile?
The IUPAC name of 4-[6-[4-(dimethylamino)piperidin-1-yl]sulfonyl-2-pyridinyl]benzonitrile (CID 58211235) is 4-[6-[4-(dimethylamino)piperidin-1-yl]sulfonyl-2-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[6-[4-(dimethylamino)piperidin-1-yl]sulfonyl-2-pyridinyl]benzonitrile?
The canonical SMILES for 4-[6-[4-(dimethylamino)piperidin-1-yl]sulfonyl-2-pyridinyl]benzonitrile is CN(C)C1CCN(S(=O)(=O)c2cccc(-c3ccc(C#N)cc3)n2)CC1.
What is the InChIKey of 4-[6-[4-(dimethylamino)piperidin-1-yl]sulfonyl-2-pyridinyl]benzonitrile?
The InChIKey is UBGWRILMPCGGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-22(2)17-10-12-23(13-11-17)26(24,25)19-5-3-4-18(21-19)16-8-6-15(14-20)7-9-16/h3-9,17H,10-13H2,1-2H3.
What are the key properties of 4-[6-[4-(dimethylamino)piperidin-1-yl]sulfonyl-2-pyridinyl]benzonitrile?
4-[6-[4-(dimethylamino)piperidin-1-yl]sulfonyl-2-pyridinyl]benzonitrile has a molecular weight of 370.48 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(dimethylamino)piperidin-1-yl]sulfonyl-2-pyridinyl]benzonitrile is sourced from PubChem (CID 58211235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).