N-(2-methylsulfanylphenyl)pyridine-3-carboxamide

C13H12N2OS — CID 1246603

IUPACN-(2-methylsulfanylphenyl)pyridine-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C13H12N2OS/c1-17-12-7-3-2-6-11(12)15-13(16)10-5-4-8-14-9-10/h2-9H,1H3,(H,15,16)
InChIKeyNTKGIURAKHGXKW-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.06
Rot. Bonds3

About N-(2-methylsulfanylphenyl)pyridine-3-carboxamide

N-(2-methylsulfanylphenyl)pyridine-3-carboxamide (PubChem CID 1246603) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)pyridine-3-carboxamide
PubChem CID1246603
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC NameN-(2-methylsulfanylphenyl)pyridine-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C13H12N2OS/c1-17-12-7-3-2-6-11(12)15-13(16)10-5-4-8-14-9-10/h2-9H,1H3,(H,15,16)
InChIKeyNTKGIURAKHGXKW-UHFFFAOYSA-N
XLogP3.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-methylsulfanylphenyl)pyridine-3-carboxamide (CID 1246603) is N-(2-methylsulfanylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)pyridine-3-carboxamide is CSc1ccccc1NC(=O)c1cccnc1.
What is the InChIKey of N-(2-methylsulfanylphenyl)pyridine-3-carboxamide?
The InChIKey is NTKGIURAKHGXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-17-12-7-3-2-6-11(12)15-13(16)10-5-4-8-14-9-10/h2-9H,1H3,(H,15,16).
What are the key properties of N-(2-methylsulfanylphenyl)pyridine-3-carboxamide?
N-(2-methylsulfanylphenyl)pyridine-3-carboxamide has a molecular weight of 244.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 1246603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).