3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide

C18H17Cl2N3OS — CID 23973238

IUPAC3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide
SMILESCCCc1ccc(C#N)c(SCCC(=O)Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C18H17Cl2N3OS/c1-2-3-15-5-4-12(11-21)18(23-15)25-7-6-17(24)22-16-9-13(19)8-14(20)10-16/h4-5,8-10H,2-3,6-7H2,1H3,(H,22,24)
InChIKeyKKAXVQRQKDGQJZ-UHFFFAOYSA-N
MW394.33 g/mol
LogP5.33
Rot. Bonds7

About 3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide

3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide (PubChem CID 23973238) has the molecular formula C18H17Cl2N3OS and a molecular weight of 394.33 g/mol. Its IUPAC name is 3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide
PubChem CID23973238
Molecular FormulaC18H17Cl2N3OS
Molecular Weight394.33 g/mol
Exact Mass393.05
IUPAC Name3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide
SMILESCCCc1ccc(C#N)c(SCCC(=O)Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C18H17Cl2N3OS/c1-2-3-15-5-4-12(11-21)18(23-15)25-7-6-17(24)22-16-9-13(19)8-14(20)10-16/h4-5,8-10H,2-3,6-7H2,1H3,(H,22,24)
InChIKeyKKAXVQRQKDGQJZ-UHFFFAOYSA-N
XLogP5.33
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.33
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]propanamide
CID 23775152
3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 23889387
3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dichlorophenyl)propanamide
CID 23973232
3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25049065
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-methyl-2-pyridinyl)propanamide
CID 23804349
N-(4-acetamidophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide
CID 23804302
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
3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 23917412
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 848027
N-(4-chlorophenyl)-3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]propanamide
CID 23917223

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide?
The IUPAC name of 3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide (CID 23973238) is 3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide?
The canonical SMILES for 3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide is CCCc1ccc(C#N)c(SCCC(=O)Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide?
The InChIKey is KKAXVQRQKDGQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3OS/c1-2-3-15-5-4-12(11-21)18(23-15)25-7-6-17(24)22-16-9-13(19)8-14(20)10-16/h4-5,8-10H,2-3,6-7H2,1H3,(H,22,24).
What are the key properties of 3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide?
3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide has a molecular weight of 394.33 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide is sourced from PubChem (CID 23973238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).