3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C22H24N4O2S — CID 22829883

IUPAC3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCc1nc(SCCC(=O)Nc2ccc(N3CCCC3=O)cc2)c(C#N)c(C)c1C
InChIInChI=1S/C22H24N4O2S/c1-14-15(2)19(13-23)22(24-16(14)3)29-12-10-20(27)25-17-6-8-18(9-7-17)26-11-4-5-21(26)28/h6-9H,4-5,10-12H2,1-3H3,(H,25,27)
InChIKeyATNWQALTEXOJBR-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.13
Rot. Bonds6

About 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 22829883) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID22829883
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCc1nc(SCCC(=O)Nc2ccc(N3CCCC3=O)cc2)c(C#N)c(C)c1C
InChIInChI=1S/C22H24N4O2S/c1-14-15(2)19(13-23)22(24-16(14)3)29-12-10-20(27)25-17-6-8-18(9-7-17)26-11-4-5-21(26)28/h6-9H,4-5,10-12H2,1-3H3,(H,25,27)
InChIKeyATNWQALTEXOJBR-UHFFFAOYSA-N
XLogP4.13
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
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2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide
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2-(4-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
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N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 22829883) is 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is Cc1nc(SCCC(=O)Nc2ccc(N3CCCC3=O)cc2)c(C#N)c(C)c1C.
What is the InChIKey of 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is ATNWQALTEXOJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-14-15(2)19(13-23)22(24-16(14)3)29-12-10-20(27)25-17-6-8-18(9-7-17)26-11-4-5-21(26)28/h6-9H,4-5,10-12H2,1-3H3,(H,25,27).
What are the key properties of 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 408.53 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 22829883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).