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

C21H25N3OS — CID 23746022

IUPAC3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide
SMILESCCCCc1ccc(C#N)c(SCCC(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C21H25N3OS/c1-4-5-8-18-11-10-17(14-22)21(23-18)26-13-12-20(25)24-19-9-6-7-15(2)16(19)3/h6-7,9-11H,4-5,8,12-13H2,1-3H3,(H,24,25)
InChIKeyMPUGACSCDPJLGY-UHFFFAOYSA-N
MW367.52 g/mol
LogP5.03
Rot. Bonds8

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

3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide (PubChem CID 23746022) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide
PubChem CID23746022
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide
SMILESCCCCc1ccc(C#N)c(SCCC(=O)Nc2cccc(C)c2C)n1
InChIInChI=1S/C21H25N3OS/c1-4-5-8-18-11-10-17(14-22)21(23-18)26-13-12-20(25)24-19-9-6-7-15(2)16(19)3/h6-7,9-11H,4-5,8,12-13H2,1-3H3,(H,24,25)
InChIKeyMPUGACSCDPJLGY-UHFFFAOYSA-N
XLogP5.03
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.52
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dichlorophenyl)propanamide
CID 23973232
3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(5-methyl-2-pyridinyl)propanamide
CID 23746137
3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide
CID 23804349
N-(3-chlorophenyl)-3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]propanamide
CID 23775152
3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23889430
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
6-butyl-2-(3-oxo-3-phenothiazin-10-ylpropyl)sulfanylpyridine-3-carbonitrile
CID 23804310
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)propanamide
CID 23861459
3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 23889387
3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-ethoxyphenyl)propanamide
CID 23917303
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682

Frequently Asked Questions

What is the IUPAC name of 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide (CID 23746022) is 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide is CCCCc1ccc(C#N)c(SCCC(=O)Nc2cccc(C)c2C)n1.
What is the InChIKey of 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is MPUGACSCDPJLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-4-5-8-18-11-10-17(14-22)21(23-18)26-13-12-20(25)24-19-9-6-7-15(2)16(19)3/h6-7,9-11H,4-5,8,12-13H2,1-3H3,(H,24,25).
What are the key properties of 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide?
3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 367.52 g/mol, XLogP of 5.03, 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-dimethylphenyl)propanamide is sourced from PubChem (CID 23746022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).