3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide

C19H22N4OS — CID 23804349

IUPAC3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide
SMILESCCCCc1ccc(C#N)c(SCCC(=O)Nc2cc(C)ccn2)n1
InChIInChI=1S/C19H22N4OS/c1-3-4-5-16-7-6-15(13-20)19(22-16)25-11-9-18(24)23-17-12-14(2)8-10-21-17/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,21,23,24)
InChIKeyKDRNYMSZUUOLJP-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.12
Rot. Bonds8

About 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide

3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide (PubChem CID 23804349) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide
PubChem CID23804349
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide
SMILESCCCCc1ccc(C#N)c(SCCC(=O)Nc2cc(C)ccn2)n1
InChIInChI=1S/C19H22N4OS/c1-3-4-5-16-7-6-15(13-20)19(22-16)25-11-9-18(24)23-17-12-14(2)8-10-21-17/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,21,23,24)
InChIKeyKDRNYMSZUUOLJP-UHFFFAOYSA-N
XLogP4.12
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2,3-dimethylphenyl)propanamide
CID 23746022
3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(2,3-dichlorophenyl)propanamide
CID 23973232
3-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide
CID 23945302
3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(3,5-dichlorophenyl)propanamide
CID 23973238
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-(4-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23889430
3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 23973412
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
N-(4-methyl-2-pyridinyl)undecanamide
CID 3659858
3-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide
CID 23973371

Frequently Asked Questions

What is the IUPAC name of 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide (CID 23804349) is 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide is CCCCc1ccc(C#N)c(SCCC(=O)Nc2cc(C)ccn2)n1.
What is the InChIKey of 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide?
The InChIKey is KDRNYMSZUUOLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-3-4-5-16-7-6-15(13-20)19(22-16)25-11-9-18(24)23-17-12-14(2)8-10-21-17/h6-8,10,12H,3-5,9,11H2,1-2H3,(H,21,23,24).
What are the key properties of 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide?
3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide has a molecular weight of 354.48 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]-N-(4-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 23804349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).