2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-pyridin-4-ylbutanamide

C18H20N4OS — CID 23830325

IUPAC2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-pyridin-4-ylbutanamide
SMILESCCCc1ccc(C#N)c(SC(CC)C(=O)Nc2ccncc2)n1
InChIInChI=1S/C18H20N4OS/c1-3-5-14-7-6-13(12-19)18(22-14)24-16(4-2)17(23)21-15-8-10-20-11-9-15/h6-11,16H,3-5H2,1-2H3,(H,20,21,23)
InChIKeyBGZICIZGWBPFNC-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.81
Rot. Bonds7

About 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-pyridin-4-ylbutanamide

2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-pyridin-4-ylbutanamide (PubChem CID 23830325) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-pyridin-4-ylbutanamide
PubChem CID23830325
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-pyridin-4-ylbutanamide
SMILESCCCc1ccc(C#N)c(SC(CC)C(=O)Nc2ccncc2)n1
InChIInChI=1S/C18H20N4OS/c1-3-5-14-7-6-13(12-19)18(22-14)24-16(4-2)17(23)21-15-8-10-20-11-9-15/h6-11,16H,3-5H2,1-2H3,(H,20,21,23)
InChIKeyBGZICIZGWBPFNC-UHFFFAOYSA-N
XLogP3.81
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanamide
CID 23998194
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(9-ethylcarbazol-3-yl)butanamide
CID 23743217
2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-pyridin-3-ylbutanamide
CID 23886438
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide
CID 23997374
2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-(3,5-dimethylphenyl)butanamide
CID 23998162
ethyl 4-cyano-5-[2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]butanoylamino]-3-methylthiophene-2-carboxylate
CID 23829585
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25044931
2-[(3-cyano-6-propan-2-yl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide
CID 21232515
ethyl 5-[2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanoylamino]-4-cyano-3-methylthiophene-2-carboxylate
CID 23885643
2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]butanamide
CID 25036432
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 848027
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 23742412

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-pyridin-4-ylbutanamide?
The IUPAC name of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-pyridin-4-ylbutanamide (CID 23830325) is 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-pyridin-4-ylbutanamide.
What is the SMILES notation for 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-pyridin-4-ylbutanamide?
The canonical SMILES for 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-pyridin-4-ylbutanamide is CCCc1ccc(C#N)c(SC(CC)C(=O)Nc2ccncc2)n1.
What is the InChIKey of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-pyridin-4-ylbutanamide?
The InChIKey is BGZICIZGWBPFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-3-5-14-7-6-13(12-19)18(22-14)24-16(4-2)17(23)21-15-8-10-20-11-9-15/h6-11,16H,3-5H2,1-2H3,(H,20,21,23).
What are the key properties of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-pyridin-4-ylbutanamide?
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-pyridin-4-ylbutanamide has a molecular weight of 340.45 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-pyridin-4-ylbutanamide is sourced from PubChem (CID 23830325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).