5-cyano-2,4-dimethyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide

C16H15N3OS — CID 657913

IUPAC5-cyano-2,4-dimethyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide
SMILESCSc1nc(C)c(C(=O)Nc2ccccc2)c(C)c1C#N
InChIInChI=1S/C16H15N3OS/c1-10-13(9-17)16(21-3)18-11(2)14(10)15(20)19-12-7-5-4-6-8-12/h4-8H,1-3H3,(H,19,20)
InChIKeyKJJDYOHIROOAMK-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.54
Rot. Bonds3

About 5-cyano-2,4-dimethyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide

5-cyano-2,4-dimethyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide (PubChem CID 657913) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-cyano-2,4-dimethyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-2,4-dimethyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide
PubChem CID657913
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name5-cyano-2,4-dimethyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide
SMILESCSc1nc(C)c(C(=O)Nc2ccccc2)c(C)c1C#N
InChIInChI=1S/C16H15N3OS/c1-10-13(9-17)16(21-3)18-11(2)14(10)15(20)19-12-7-5-4-6-8-12/h4-8H,1-3H3,(H,19,20)
InChIKeyKJJDYOHIROOAMK-UHFFFAOYSA-N
XLogP3.54
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(acetylamino)phenyl]-2-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]acetamide
CID 657970
5-Acetyl-2-{[(4-fluorophenyl)methyl]sulfanyl}-6-methylpyridine-3-carbonitrile
CID 683835
4,6-Dimethyl-2-(2-oxo-2-p-tolyl-ethylsulfanyl)-nicotinamide
CID 717110
4,6-Dimethyl-2-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]thio}nicotinonitrile
CID 135472805
2-(3-Cyano-6-methyl-4-phenyl-pyridin-2-ylsulfanyl)-acetamide
CID 648486
2-[2-(3-Cyano-4,6-dimethyl-pyridin-2-ylsulfanyl)-acetylamino]-benzamide
CID 655086
5-Acetyl-2-(2-cyano-benzylsulfanyl)-6-methyl-nicotinonitrile
CID 792263
6-(allylthio)-2-amino-5-cyano-N-phenylnicotinamide
CID 2197499
3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]-N-(4-methylphenyl)propanamide
CID 2241259
2-[(6-tert-butyl-3-cyano-4-phenylpyridin-2-yl)sulfanyl]-N-phenylpropanamide
CID 3166940
4,6-Dimethyl-N-(3-methylphenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carboxamide
CID 16014814
4,6-Dimethyl-2-methylsulfanyl-nicotinamide
CID 601656

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2,4-dimethyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide?
The IUPAC name of 5-cyano-2,4-dimethyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide (CID 657913) is 5-cyano-2,4-dimethyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-2,4-dimethyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 5-cyano-2,4-dimethyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide is CSc1nc(C)c(C(=O)Nc2ccccc2)c(C)c1C#N.
What is the InChIKey of 5-cyano-2,4-dimethyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide?
The InChIKey is KJJDYOHIROOAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-13(9-17)16(21-3)18-11(2)14(10)15(20)19-12-7-5-4-6-8-12/h4-8H,1-3H3,(H,19,20).
What are the key properties of 5-cyano-2,4-dimethyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide?
5-cyano-2,4-dimethyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2,4-dimethyl-6-methylsulfanyl-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 657913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).