4,6-dimethyl-2-(4-methylsulfonylanilino)pyridine-3-carbonitrile

C15H15N3O2S — CID 61175342

IUPAC4,6-dimethyl-2-(4-methylsulfonylanilino)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Nc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C15H15N3O2S/c1-10-8-11(2)17-15(14(10)9-16)18-12-4-6-13(7-5-12)21(3,19)20/h4-8H,1-3H3,(H,17,18)
InChIKeyZLSXDOFDICCLFU-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.72
Rot. Bonds3

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

4,6-dimethyl-2-(4-methylsulfonylanilino)pyridine-3-carbonitrile (PubChem CID 61175342) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4,6-dimethyl-2-(4-methylsulfonylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(4-methylsulfonylanilino)pyridine-3-carbonitrile
PubChem CID61175342
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name4,6-dimethyl-2-(4-methylsulfonylanilino)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Nc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C15H15N3O2S/c1-10-8-11(2)17-15(14(10)9-16)18-12-4-6-13(7-5-12)21(3,19)20/h4-8H,1-3H3,(H,17,18)
InChIKeyZLSXDOFDICCLFU-UHFFFAOYSA-N
XLogP2.72
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(4-methylsulfonylanilino)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(4-methylsulfonylanilino)pyridine-3-carbonitrile (CID 61175342) is 4,6-dimethyl-2-(4-methylsulfonylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(4-methylsulfonylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(4-methylsulfonylanilino)pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Nc2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 4,6-dimethyl-2-(4-methylsulfonylanilino)pyridine-3-carbonitrile?
The InChIKey is ZLSXDOFDICCLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-8-11(2)17-15(14(10)9-16)18-12-4-6-13(7-5-12)21(3,19)20/h4-8H,1-3H3,(H,17,18).
What are the key properties of 4,6-dimethyl-2-(4-methylsulfonylanilino)pyridine-3-carbonitrile?
4,6-dimethyl-2-(4-methylsulfonylanilino)pyridine-3-carbonitrile has a molecular weight of 301.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(4-methylsulfonylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 61175342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).