5-(2-anilinoacetyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile

C16H15N3OS — CID 2325785

IUPAC5-(2-anilinoacetyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile
SMILESCSc1nc(C)c(C(=O)CNc2ccccc2)cc1C#N
InChIInChI=1S/C16H15N3OS/c1-11-14(8-12(9-17)16(19-11)21-2)15(20)10-18-13-6-4-3-5-7-13/h3-8,18H,10H2,1-2H3
InChIKeyFPCZRKWFSYYOSL-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.28
Rot. Bonds5

About 5-(2-anilinoacetyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile

5-(2-anilinoacetyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile (PubChem CID 2325785) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-(2-anilinoacetyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2-anilinoacetyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile
PubChem CID2325785
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name5-(2-anilinoacetyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile
SMILESCSc1nc(C)c(C(=O)CNc2ccccc2)cc1C#N
InChIInChI=1S/C16H15N3OS/c1-11-14(8-12(9-17)16(19-11)21-2)15(20)10-18-13-6-4-3-5-7-13/h3-8,18H,10H2,1-2H3
InChIKeyFPCZRKWFSYYOSL-UHFFFAOYSA-N
XLogP3.28
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-anilinoacetyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile?
The IUPAC name of 5-(2-anilinoacetyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile (CID 2325785) is 5-(2-anilinoacetyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile.
What is the SMILES notation for 5-(2-anilinoacetyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile?
The canonical SMILES for 5-(2-anilinoacetyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile is CSc1nc(C)c(C(=O)CNc2ccccc2)cc1C#N.
What is the InChIKey of 5-(2-anilinoacetyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile?
The InChIKey is FPCZRKWFSYYOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-11-14(8-12(9-17)16(19-11)21-2)15(20)10-18-13-6-4-3-5-7-13/h3-8,18H,10H2,1-2H3.
What are the key properties of 5-(2-anilinoacetyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile?
5-(2-anilinoacetyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile has a molecular weight of 297.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-anilinoacetyl)-6-methyl-2-methylsulfanylpyridine-3-carbonitrile is sourced from PubChem (CID 2325785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).