2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide

C15H21N3OS — CID 7491456

IUPAC2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
SMILESCc1nc(SCC(=O)NCC(C)C)c(C#N)c(C)c1C
InChIInChI=1S/C15H21N3OS/c1-9(2)7-17-14(19)8-20-15-13(6-16)11(4)10(3)12(5)18-15/h9H,7-8H2,1-5H3,(H,17,19)
InChIKeyPZRDCEOSPJURPI-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.74
Rot. Bonds5

About 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide

2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide (PubChem CID 7491456) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
PubChem CID7491456
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide
SMILESCc1nc(SCC(=O)NCC(C)C)c(C#N)c(C)c1C
InChIInChI=1S/C15H21N3OS/c1-9(2)7-17-14(19)8-20-15-13(6-16)11(4)10(3)12(5)18-15/h9H,7-8H2,1-5H3,(H,17,19)
InChIKeyPZRDCEOSPJURPI-UHFFFAOYSA-N
XLogP2.74
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide (CID 7491456) is 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide is Cc1nc(SCC(=O)NCC(C)C)c(C#N)c(C)c1C.
What is the InChIKey of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide?
The InChIKey is PZRDCEOSPJURPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-9(2)7-17-14(19)8-20-15-13(6-16)11(4)10(3)12(5)18-15/h9H,7-8H2,1-5H3,(H,17,19).
What are the key properties of 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide?
2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide has a molecular weight of 291.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)sulfanyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 7491456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).