2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide

C21H25N3O2S — CID 23997374

IUPAC2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCCCc1ccc(C#N)c(SC(CC)C(=O)NCc2ccc(OC)cc2)n1
InChIInChI=1S/C21H25N3O2S/c1-4-6-17-10-9-16(13-22)21(24-17)27-19(5-2)20(25)23-14-15-7-11-18(26-3)12-8-15/h7-12,19H,4-6,14H2,1-3H3,(H,23,25)
InChIKeyVGXANPFMLXWRMT-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.10
Rot. Bonds9

About 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide

2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide (PubChem CID 23997374) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide
PubChem CID23997374
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide
SMILESCCCc1ccc(C#N)c(SC(CC)C(=O)NCc2ccc(OC)cc2)n1
InChIInChI=1S/C21H25N3O2S/c1-4-6-17-10-9-16(13-22)21(24-17)27-19(5-2)20(25)23-14-15-7-11-18(26-3)12-8-15/h7-12,19H,4-6,14H2,1-3H3,(H,23,25)
InChIKeyVGXANPFMLXWRMT-UHFFFAOYSA-N
XLogP4.10
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide with MolForge

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Related Compounds

2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-pyridin-4-ylbutanamide
CID 23830325
N-(4-acetamidophenyl)-2-[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]butanamide
CID 23998194
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 848027
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-(3,5-dimethylphenyl)butanamide
CID 23998162
3-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 23917412
2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 23997383
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 25044931
2-[(3-cyano-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 53365769
2-[[3-cyano-6-(2-methylpropyl)-2-pyridinyl]sulfanyl]-N-pyridin-3-ylbutanamide
CID 23886438
2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]butanamide
CID 25037088
2-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-6-propylpyridine-3-carbonitrile
CID 1070846

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide?
The IUPAC name of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide (CID 23997374) is 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide?
The canonical SMILES for 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide is CCCc1ccc(C#N)c(SC(CC)C(=O)NCc2ccc(OC)cc2)n1.
What is the InChIKey of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide?
The InChIKey is VGXANPFMLXWRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-4-6-17-10-9-16(13-22)21(24-17)27-19(5-2)20(25)23-14-15-7-11-18(26-3)12-8-15/h7-12,19H,4-6,14H2,1-3H3,(H,23,25).
What are the key properties of 2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide?
2-[(3-cyano-6-propyl-2-pyridinyl)sulfanyl]-N-[(4-methoxyphenyl)methyl]butanamide has a molecular weight of 383.52 g/mol, XLogP of 4.10, 9 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-[(4-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 23997374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).