3-amino-6-(4-methylsulfanylanilino)pyridine-2-carbonitrile

C13H12N4S — CID 103467393

IUPAC3-amino-6-(4-methylsulfanylanilino)pyridine-2-carbonitrile
SMILESCSc1ccc(Nc2ccc(N)c(C#N)n2)cc1
InChIInChI=1S/C13H12N4S/c1-18-10-4-2-9(3-5-10)16-13-7-6-11(15)12(8-14)17-13/h2-7H,15H2,1H3,(H,16,17)
InChIKeyZGDVWDNVEABVFT-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.00
Rot. Bonds3

About 3-amino-6-(4-methylsulfanylanilino)pyridine-2-carbonitrile

3-amino-6-(4-methylsulfanylanilino)pyridine-2-carbonitrile (PubChem CID 103467393) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-amino-6-(4-methylsulfanylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(4-methylsulfanylanilino)pyridine-2-carbonitrile
PubChem CID103467393
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name3-amino-6-(4-methylsulfanylanilino)pyridine-2-carbonitrile
SMILESCSc1ccc(Nc2ccc(N)c(C#N)n2)cc1
InChIInChI=1S/C13H12N4S/c1-18-10-4-2-9(3-5-10)16-13-7-6-11(15)12(8-14)17-13/h2-7H,15H2,1H3,(H,16,17)
InChIKeyZGDVWDNVEABVFT-UHFFFAOYSA-N
XLogP3.00
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(4-methylsulfanylanilino)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(4-methylsulfanylanilino)pyridine-2-carbonitrile (CID 103467393) is 3-amino-6-(4-methylsulfanylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(4-methylsulfanylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(4-methylsulfanylanilino)pyridine-2-carbonitrile is CSc1ccc(Nc2ccc(N)c(C#N)n2)cc1.
What is the InChIKey of 3-amino-6-(4-methylsulfanylanilino)pyridine-2-carbonitrile?
The InChIKey is ZGDVWDNVEABVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-18-10-4-2-9(3-5-10)16-13-7-6-11(15)12(8-14)17-13/h2-7H,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-6-(4-methylsulfanylanilino)pyridine-2-carbonitrile?
3-amino-6-(4-methylsulfanylanilino)pyridine-2-carbonitrile has a molecular weight of 256.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(4-methylsulfanylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 103467393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).