2-(4-methylphenyl)sulfanylpyridine-3-carboxamide

C13H12N2OS — CID 2774904

IUPAC2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(N)=O)cc1
InChIInChI=1S/C13H12N2OS/c1-9-4-6-10(7-5-9)17-13-11(12(14)16)3-2-8-15-13/h2-8H,1H3,(H2,14,16)
InChIKeyFGJYERMHEXAORL-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.64
Rot. Bonds3

About 2-(4-methylphenyl)sulfanylpyridine-3-carboxamide

2-(4-methylphenyl)sulfanylpyridine-3-carboxamide (PubChem CID 2774904) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
PubChem CID2774904
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
SMILESCc1ccc(Sc2ncccc2C(N)=O)cc1
InChIInChI=1S/C13H12N2OS/c1-9-4-6-10(7-5-9)17-13-11(12(14)16)3-2-8-15-13/h2-8H,1H3,(H2,14,16)
InChIKeyFGJYERMHEXAORL-UHFFFAOYSA-N
XLogP2.64
TPSA55.98 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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanylpyridine-3-carboxamide?
The IUPAC name of 2-(4-methylphenyl)sulfanylpyridine-3-carboxamide (CID 2774904) is 2-(4-methylphenyl)sulfanylpyridine-3-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)sulfanylpyridine-3-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)sulfanylpyridine-3-carboxamide is Cc1ccc(Sc2ncccc2C(N)=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanylpyridine-3-carboxamide?
The InChIKey is FGJYERMHEXAORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-9-4-6-10(7-5-9)17-13-11(12(14)16)3-2-8-15-13/h2-8H,1H3,(H2,14,16).
What are the key properties of 2-(4-methylphenyl)sulfanylpyridine-3-carboxamide?
2-(4-methylphenyl)sulfanylpyridine-3-carboxamide has a molecular weight of 244.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2774904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).