6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]pyridine-3-carbonitrile

C16H22N4O3S — CID 133311673

IUPAC6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCN(S(=O)(=O)C3CCOCC3)CC2)nc1
InChIInChI=1S/C16H22N4O3S/c17-11-13-1-2-16(18-12-13)19-14-3-7-20(8-4-14)24(21,22)15-5-9-23-10-6-15/h1-2,12,14-15H,3-10H2,(H,18,19)
InChIKeyGSGTZADZJGQSHV-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.34
Rot. Bonds4

About 6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]pyridine-3-carbonitrile

6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]pyridine-3-carbonitrile (PubChem CID 133311673) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
PubChem CID133311673
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCN(S(=O)(=O)C3CCOCC3)CC2)nc1
InChIInChI=1S/C16H22N4O3S/c17-11-13-1-2-16(18-12-13)19-14-3-7-20(8-4-14)24(21,22)15-5-9-23-10-6-15/h1-2,12,14-15H,3-10H2,(H,18,19)
InChIKeyGSGTZADZJGQSHV-UHFFFAOYSA-N
XLogP1.34
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 133311693
6-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
CID 26046044
2-fluoro-6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]benzonitrile
CID 133311635
6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile
CID 24704980
6-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 47054697
N-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]quinazolin-4-amine
CID 133311667
4-[4-[[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]amino]phenyl]piperazine-1-carboxylic acid
CID 175995322
N-(oxan-4-yl)-5-(2-phenylethynyl)pyridin-2-amine
CID 52917035
6-[(2-oxooxolan-3-yl)amino]pyridine-3-carbonitrile
CID 43822801
6-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]pyridine-3-carbonitrile
CID 129368242
6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile
CID 61371820
tert-butyl (3R)-3-[(5-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 66884944

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]pyridine-3-carbonitrile (CID 133311673) is 6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]pyridine-3-carbonitrile is N#Cc1ccc(NC2CCN(S(=O)(=O)C3CCOCC3)CC2)nc1.
What is the InChIKey of 6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
The InChIKey is GSGTZADZJGQSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c17-11-13-1-2-16(18-12-13)19-14-3-7-20(8-4-14)24(21,22)15-5-9-23-10-6-15/h1-2,12,14-15H,3-10H2,(H,18,19).
What are the key properties of 6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]pyridine-3-carbonitrile?
6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]pyridine-3-carbonitrile has a molecular weight of 350.44 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(oxan-4-ylsulfonyl)piperidin-4-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 133311673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).