6-methyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile

C14H19N3S — CID 912237

IUPAC6-methyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(SCCN2CCCCC2)n1
InChIInChI=1S/C14H19N3S/c1-12-5-6-13(11-15)14(16-12)18-10-9-17-7-3-2-4-8-17/h5-6H,2-4,7-10H2,1H3
InChIKeyOYSWWWNBULNPBV-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.84
Rot. Bonds4

About 6-methyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile

6-methyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile (PubChem CID 912237) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 6-methyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile
PubChem CID912237
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name6-methyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(SCCN2CCCCC2)n1
InChIInChI=1S/C14H19N3S/c1-12-5-6-13(11-15)14(16-12)18-10-9-17-7-3-2-4-8-17/h5-6H,2-4,7-10H2,1H3
InChIKeyOYSWWWNBULNPBV-UHFFFAOYSA-N
XLogP2.84
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile (CID 912237) is 6-methyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile is Cc1ccc(C#N)c(SCCN2CCCCC2)n1.
What is the InChIKey of 6-methyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile?
The InChIKey is OYSWWWNBULNPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-12-5-6-13(11-15)14(16-12)18-10-9-17-7-3-2-4-8-17/h5-6H,2-4,7-10H2,1H3.
What are the key properties of 6-methyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile?
6-methyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile has a molecular weight of 261.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile is sourced from PubChem (CID 912237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).