2-(2-aminophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile

C14H13N3S — CID 2726035

IUPAC2-(2-aminophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Sc2ccccc2N)n1
InChIInChI=1S/C14H13N3S/c1-9-7-10(2)17-14(11(9)8-15)18-13-6-4-3-5-12(13)16/h3-7H,16H2,1-2H3
InChIKeyJTXZPDDOQMSABQ-UHFFFAOYSA-N
MW255.35 g/mol
LogP3.30
Rot. Bonds2

About 2-(2-aminophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile

2-(2-aminophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 2726035) has the molecular formula C14H13N3S and a molecular weight of 255.35 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile
PubChem CID2726035
Molecular FormulaC14H13N3S
Molecular Weight255.35 g/mol
Exact Mass255.08
IUPAC Name2-(2-aminophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Sc2ccccc2N)n1
InChIInChI=1S/C14H13N3S/c1-9-7-10(2)17-14(11(9)8-15)18-13-6-4-3-5-12(13)16/h3-7H,16H2,1-2H3
InChIKeyJTXZPDDOQMSABQ-UHFFFAOYSA-N
XLogP3.30
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-aminophenyl)sulfanyl-4,6-dimethylpyridine-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 2-(2-aminophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile (CID 2726035) is 2-(2-aminophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Sc2ccccc2N)n1.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is JTXZPDDOQMSABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3S/c1-9-7-10(2)17-14(11(9)8-15)18-13-6-4-3-5-12(13)16/h3-7H,16H2,1-2H3.
What are the key properties of 2-(2-aminophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile?
2-(2-aminophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 255.35 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 2726035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).