3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)propanamide

C18H19N3OS — CID 23861459

IUPAC3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)propanamide
SMILESCc1cc(C)c(C#N)c(SCCC(=O)Nc2ccccc2C)n1
InChIInChI=1S/C18H19N3OS/c1-12-6-4-5-7-16(12)21-17(22)8-9-23-18-15(11-19)13(2)10-14(3)20-18/h4-7,10H,8-9H2,1-3H3,(H,21,22)
InChIKeyBJEPZHULFXTDTK-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.00
Rot. Bonds5

About 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)propanamide

3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)propanamide (PubChem CID 23861459) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)propanamide
PubChem CID23861459
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)propanamide
SMILESCc1cc(C)c(C#N)c(SCCC(=O)Nc2ccccc2C)n1
InChIInChI=1S/C18H19N3OS/c1-12-6-4-5-7-16(12)21-17(22)8-9-23-18-15(11-19)13(2)10-14(3)20-18/h4-7,10H,8-9H2,1-3H3,(H,21,22)
InChIKeyBJEPZHULFXTDTK-UHFFFAOYSA-N
XLogP4.00
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 23775179
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]propanoic acid
CID 19059694
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 23746163
2-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]amino]benzoate
CID 4106841
3-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(2-methylphenyl)propanamide
CID 23861457
3-[(6-amino-3,5-dicyano-4-thiophen-3-yl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)propanamide
CID 23973254
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 23833208
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)acetamide
CID 690403
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 40552208
N-(2-bromophenyl)-3-[(3-cyano-4,6-diphenyl-2-pyridinyl)sulfanyl]propanamide
CID 23804214
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 23861595
2-[2-(2-hydroxyphenyl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 22330960

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)propanamide?
The IUPAC name of 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)propanamide (CID 23861459) is 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)propanamide is Cc1cc(C)c(C#N)c(SCCC(=O)Nc2ccccc2C)n1.
What is the InChIKey of 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)propanamide?
The InChIKey is BJEPZHULFXTDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-12-6-4-5-7-16(12)21-17(22)8-9-23-18-15(11-19)13(2)10-14(3)20-18/h4-7,10H,8-9H2,1-3H3,(H,21,22).
What are the key properties of 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)propanamide?
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)propanamide has a molecular weight of 325.44 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 23861459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).