2-methylsulfanyl-N-(2-phenylethyl)pyridine-3-carboxamide

C15H16N2OS — CID 2088327

IUPAC2-methylsulfanyl-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C15H16N2OS/c1-19-15-13(8-5-10-17-15)14(18)16-11-9-12-6-3-2-4-7-12/h2-8,10H,9,11H2,1H3,(H,16,18)
InChIKeyXLCCEJUOHIPHIL-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.78
Rot. Bonds5

About 2-methylsulfanyl-N-(2-phenylethyl)pyridine-3-carboxamide

2-methylsulfanyl-N-(2-phenylethyl)pyridine-3-carboxamide (PubChem CID 2088327) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-phenylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-phenylethyl)pyridine-3-carboxamide
PubChem CID2088327
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name2-methylsulfanyl-N-(2-phenylethyl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C15H16N2OS/c1-19-15-13(8-5-10-17-15)14(18)16-11-9-12-6-3-2-4-7-12/h2-8,10H,9,11H2,1H3,(H,16,18)
InChIKeyXLCCEJUOHIPHIL-UHFFFAOYSA-N
XLogP2.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-phenylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-(2-phenylethyl)pyridine-3-carboxamide (CID 2088327) is 2-methylsulfanyl-N-(2-phenylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-(2-phenylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-(2-phenylethyl)pyridine-3-carboxamide is CSc1ncccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-methylsulfanyl-N-(2-phenylethyl)pyridine-3-carboxamide?
The InChIKey is XLCCEJUOHIPHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-19-15-13(8-5-10-17-15)14(18)16-11-9-12-6-3-2-4-7-12/h2-8,10H,9,11H2,1H3,(H,16,18).
What are the key properties of 2-methylsulfanyl-N-(2-phenylethyl)pyridine-3-carboxamide?
2-methylsulfanyl-N-(2-phenylethyl)pyridine-3-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-phenylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2088327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).