2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide

C16H20N4O2S — CID 2672589

IUPAC2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)NC(=O)NC2CCCC2)n1
InChIInChI=1S/C16H20N4O2S/c1-10-7-11(2)18-15(13(10)8-17)23-9-14(21)20-16(22)19-12-5-3-4-6-12/h7,12H,3-6,9H2,1-2H3,(H2,19,20,21,22)
InChIKeyDALANQYMPZRLPS-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.43
Rot. Bonds4

About 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide (PubChem CID 2672589) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
PubChem CID2672589
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)NC(=O)NC2CCCC2)n1
InChIInChI=1S/C16H20N4O2S/c1-10-7-11(2)18-15(13(10)8-17)23-9-14(21)20-16(22)19-12-5-3-4-6-12/h7,12H,3-6,9H2,1-2H3,(H2,19,20,21,22)
InChIKeyDALANQYMPZRLPS-UHFFFAOYSA-N
XLogP2.43
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide?
The IUPAC name of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide (CID 2672589) is 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide?
The canonical SMILES for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide is Cc1cc(C)c(C#N)c(SCC(=O)NC(=O)NC2CCCC2)n1.
What is the InChIKey of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide?
The InChIKey is DALANQYMPZRLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10-7-11(2)18-15(13(10)8-17)23-9-14(21)20-16(22)19-12-5-3-4-6-12/h7,12H,3-6,9H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide?
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide has a molecular weight of 332.43 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(cyclopentylcarbamoyl)acetamide is sourced from PubChem (CID 2672589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).