4,6-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyridine-3-carbonitrile

C15H19N3OS — CID 710309

IUPAC4,6-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(SCC(=O)N2CCCCC2)n1
InChIInChI=1S/C15H19N3OS/c1-11-8-12(2)17-15(13(11)9-16)20-10-14(19)18-6-4-3-5-7-18/h8H,3-7,10H2,1-2H3
InChIKeyZOCJVKYOIHAQNJ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.67
Rot. Bonds3

About 4,6-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyridine-3-carbonitrile

4,6-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyridine-3-carbonitrile (PubChem CID 710309) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyridine-3-carbonitrile
PubChem CID710309
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4,6-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(SCC(=O)N2CCCCC2)n1
InChIInChI=1S/C15H19N3OS/c1-11-8-12(2)17-15(13(11)9-16)20-10-14(19)18-6-4-3-5-7-18/h8H,3-7,10H2,1-2H3
InChIKeyZOCJVKYOIHAQNJ-UHFFFAOYSA-N
XLogP2.67
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyridine-3-carbonitrile (CID 710309) is 4,6-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(SCC(=O)N2CCCCC2)n1.
What is the InChIKey of 4,6-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyridine-3-carbonitrile?
The InChIKey is ZOCJVKYOIHAQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-8-12(2)17-15(13(11)9-16)20-10-14(19)18-6-4-3-5-7-18/h8H,3-7,10H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyridine-3-carbonitrile?
4,6-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyridine-3-carbonitrile has a molecular weight of 289.40 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 710309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).