N-(4-methylsulfanylphenyl)pyridine-2-carboxamide

C13H12N2OS — CID 9153414

IUPACN-(4-methylsulfanylphenyl)pyridine-2-carboxamide
SMILESCSc1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C13H12N2OS/c1-17-11-7-5-10(6-8-11)15-13(16)12-4-2-3-9-14-12/h2-9H,1H3,(H,15,16)
InChIKeyBBBNEPHODZHGRQ-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.06
Rot. Bonds3

About N-(4-methylsulfanylphenyl)pyridine-2-carboxamide

N-(4-methylsulfanylphenyl)pyridine-2-carboxamide (PubChem CID 9153414) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)pyridine-2-carboxamide
PubChem CID9153414
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC NameN-(4-methylsulfanylphenyl)pyridine-2-carboxamide
SMILESCSc1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C13H12N2OS/c1-17-11-7-5-10(6-8-11)15-13(16)12-4-2-3-9-14-12/h2-9H,1H3,(H,15,16)
InChIKeyBBBNEPHODZHGRQ-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-(4-methylsulfanylphenyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-methylsulfanylphenyl)pyridine-2-carboxamide (CID 9153414) is N-(4-methylsulfanylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)pyridine-2-carboxamide is CSc1ccc(NC(=O)c2ccccn2)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)pyridine-2-carboxamide?
The InChIKey is BBBNEPHODZHGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-17-11-7-5-10(6-8-11)15-13(16)12-4-2-3-9-14-12/h2-9H,1H3,(H,15,16).
What are the key properties of N-(4-methylsulfanylphenyl)pyridine-2-carboxamide?
N-(4-methylsulfanylphenyl)pyridine-2-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-(4-methylsulfanylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 9153414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).