4,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile

C14H17N3O2S — CID 703070

IUPAC4,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(SCC(=O)N2CCOCC2)n1
InChIInChI=1S/C14H17N3O2S/c1-10-7-11(2)16-14(12(10)8-15)20-9-13(18)17-3-5-19-6-4-17/h7H,3-6,9H2,1-2H3
InChIKeyVZMCPEMEGKNUOY-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.52
Rot. Bonds3

About 4,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile

4,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile (PubChem CID 703070) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile
PubChem CID703070
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(SCC(=O)N2CCOCC2)n1
InChIInChI=1S/C14H17N3O2S/c1-10-7-11(2)16-14(12(10)8-15)20-9-13(18)17-3-5-19-6-4-17/h7H,3-6,9H2,1-2H3
InChIKeyVZMCPEMEGKNUOY-UHFFFAOYSA-N
XLogP1.52
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile (CID 703070) is 4,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(SCC(=O)N2CCOCC2)n1.
What is the InChIKey of 4,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile?
The InChIKey is VZMCPEMEGKNUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-7-11(2)16-14(12(10)8-15)20-9-13(18)17-3-5-19-6-4-17/h7H,3-6,9H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile?
4,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile has a molecular weight of 291.38 g/mol, XLogP of 1.52, 3 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-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 703070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).