4-anilino-2-methylsulfanylpyridine-3-carbonitrile

C13H11N3S — CID 660416

IUPAC4-anilino-2-methylsulfanylpyridine-3-carbonitrile
SMILESCSc1nccc(Nc2ccccc2)c1C#N
InChIInChI=1S/C13H11N3S/c1-17-13-11(9-14)12(7-8-15-13)16-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16)
InChIKeyHUYFPEVZNOMRGY-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.42
Rot. Bonds3

About 4-anilino-2-methylsulfanylpyridine-3-carbonitrile

4-anilino-2-methylsulfanylpyridine-3-carbonitrile (PubChem CID 660416) has the molecular formula C13H11N3S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-anilino-2-methylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-anilino-2-methylsulfanylpyridine-3-carbonitrile
PubChem CID660416
Molecular FormulaC13H11N3S
Molecular Weight241.32 g/mol
Exact Mass241.07
IUPAC Name4-anilino-2-methylsulfanylpyridine-3-carbonitrile
SMILESCSc1nccc(Nc2ccccc2)c1C#N
InChIInChI=1S/C13H11N3S/c1-17-13-11(9-14)12(7-8-15-13)16-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16)
InChIKeyHUYFPEVZNOMRGY-UHFFFAOYSA-N
XLogP3.42
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(((Pyridin-3-yl)methyl)sulfanyl)aniline
CID 3642065
3-Amino-4-anilinothieno[2,3-b]pyridine-2-carbonitrile
CID 793761
6-Ethyl-5-methyl-2-[(pyridin-3-ylmethyl)sulfanyl]nicotinonitrile
CID 660204
2-[(2-Chlorophenyl)methylsulfanyl]-4-(dimethylamino)pyridine-3-carbonitrile
CID 755898
6-Ethylsulfanyl-[2,3']bipyridinyl-5-carbonitrile
CID 912276
3-Pyridinecarbonitrile, 2-[(phenylmethyl)thio]-
CID 501238
6-(Phenylthio)nicotinonitrile
CID 2737173
2-(Methylthio)nicotinonitrile
CID 2799687
Cambridge id 5472476
CID 5016817
4-Anilino-2-benzylsulfanylpyridine-3-carbonitrile
CID 788175
2-(Benzylsulfanyl)pyridin-4-amine
CID 17935035
6-(Tert-butylsulfanyl)pyridine-3-carbonitrile
CID 28413190

Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-methylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 4-anilino-2-methylsulfanylpyridine-3-carbonitrile (CID 660416) is 4-anilino-2-methylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 4-anilino-2-methylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 4-anilino-2-methylsulfanylpyridine-3-carbonitrile is CSc1nccc(Nc2ccccc2)c1C#N.
What is the InChIKey of 4-anilino-2-methylsulfanylpyridine-3-carbonitrile?
The InChIKey is HUYFPEVZNOMRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3S/c1-17-13-11(9-14)12(7-8-15-13)16-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16).
What are the key properties of 4-anilino-2-methylsulfanylpyridine-3-carbonitrile?
4-anilino-2-methylsulfanylpyridine-3-carbonitrile has a molecular weight of 241.32 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-methylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 660416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).