4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile

C15H21N3S — CID 725545

IUPAC4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(SCCN2CCCCC2)n1
InChIInChI=1S/C15H21N3S/c1-12-10-13(2)17-15(14(12)11-16)19-9-8-18-6-4-3-5-7-18/h10H,3-9H2,1-2H3
InChIKeyRXIRUDIOTUUIKB-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.15
Rot. Bonds4

About 4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile

4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile (PubChem CID 725545) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile
PubChem CID725545
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(SCCN2CCCCC2)n1
InChIInChI=1S/C15H21N3S/c1-12-10-13(2)17-15(14(12)11-16)19-9-8-18-6-4-3-5-7-18/h10H,3-9H2,1-2H3
InChIKeyRXIRUDIOTUUIKB-UHFFFAOYSA-N
XLogP3.15
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.15
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-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile (CID 725545) is 4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(SCCN2CCCCC2)n1.
What is the InChIKey of 4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile?
The InChIKey is RXIRUDIOTUUIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-12-10-13(2)17-15(14(12)11-16)19-9-8-18-6-4-3-5-7-18/h10H,3-9H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile?
4,6-dimethyl-2-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile has a molecular weight of 275.42 g/mol, XLogP of 3.15, 4 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-piperidin-1-ylethylsulfanyl)pyridine-3-carbonitrile is sourced from PubChem (CID 725545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).