3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dichlorophenyl)propanamide

C19H19Cl2N3OS — CID 23973232

IUPAC3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dichlorophenyl)propanamide
SMILESCCCCc1ccc(C#N)c(SCCC(=O)Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C19H19Cl2N3OS/c1-2-3-5-14-9-8-13(12-22)19(23-14)26-11-10-17(25)24-16-7-4-6-15(20)18(16)21/h4,6-9H,2-3,5,10-11H2,1H3,(H,24,25)
InChIKeyOVRJGTJLYVDKQJ-UHFFFAOYSA-N
MW408.35 g/mol
LogP5.72
Rot. Bonds8

About 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dichlorophenyl)propanamide

3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dichlorophenyl)propanamide (PubChem CID 23973232) has the molecular formula C19H19Cl2N3OS and a molecular weight of 408.35 g/mol. Its IUPAC name is 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dichlorophenyl)propanamide
PubChem CID23973232
Molecular FormulaC19H19Cl2N3OS
Molecular Weight408.35 g/mol
Exact Mass407.06
IUPAC Name3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dichlorophenyl)propanamide
SMILESCCCCc1ccc(C#N)c(SCCC(=O)Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C19H19Cl2N3OS/c1-2-3-5-14-9-8-13(12-22)19(23-14)26-11-10-17(25)24-16-7-4-6-15(20)18(16)21/h4,6-9H,2-3,5,10-11H2,1H3,(H,24,25)
InChIKeyOVRJGTJLYVDKQJ-UHFFFAOYSA-N
XLogP5.72
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.35
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide
CID 23746022
3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(5-methyl-2-pyridinyl)propanamide
CID 23746137
N-(3-chlorophenyl)-3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]propanamide
CID 23775152
3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide
CID 23804349
3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide
CID 23973238
3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23973412
3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23889430
6-butyl-2-(3-oxo-3-phenothiazin-10-ylpropyl)sulfanylpyridine-3-carbonitrile
CID 23804310
N-(2,3-dichlorophenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 23804458
3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 23889387
N-(4-acetamidophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide
CID 23804302
3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 23917412

Frequently Asked Questions

What is the IUPAC name of 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dichlorophenyl)propanamide?
The IUPAC name of 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dichlorophenyl)propanamide (CID 23973232) is 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dichlorophenyl)propanamide?
The canonical SMILES for 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dichlorophenyl)propanamide is CCCCc1ccc(C#N)c(SCCC(=O)Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dichlorophenyl)propanamide?
The InChIKey is OVRJGTJLYVDKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3OS/c1-2-3-5-14-9-8-13(12-22)19(23-14)26-11-10-17(25)24-16-7-4-6-15(20)18(16)21/h4,6-9H,2-3,5,10-11H2,1H3,(H,24,25).
What are the key properties of 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dichlorophenyl)propanamide?
3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dichlorophenyl)propanamide has a molecular weight of 408.35 g/mol, XLogP of 5.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dichlorophenyl)propanamide is sourced from PubChem (CID 23973232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).