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

C14H19N3OS — CID 919961

IUPAC4,6-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(SCCN2CCOCC2)n1
InChIInChI=1S/C14H19N3OS/c1-11-9-12(2)16-14(13(11)10-15)19-8-5-17-3-6-18-7-4-17/h9H,3-8H2,1-2H3
InChIKeyDZOKIWHKKHIQQO-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.99
Rot. Bonds4

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

4,6-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonitrile (PubChem CID 919961) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonitrile
PubChem CID919961
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name4,6-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(SCCN2CCOCC2)n1
InChIInChI=1S/C14H19N3OS/c1-11-9-12(2)16-14(13(11)10-15)19-8-5-17-3-6-18-7-4-17/h9H,3-8H2,1-2H3
InChIKeyDZOKIWHKKHIQQO-UHFFFAOYSA-N
XLogP1.99
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonitrile (CID 919961) is 4,6-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(SCCN2CCOCC2)n1.
What is the InChIKey of 4,6-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonitrile?
The InChIKey is DZOKIWHKKHIQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-11-9-12(2)16-14(13(11)10-15)19-8-5-17-3-6-18-7-4-17/h9H,3-8H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonitrile?
4,6-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonitrile has a molecular weight of 277.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carbonitrile is sourced from PubChem (CID 919961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).