2-methylsulfanyl-6-phenylpyridine-3-carboxamide

C13H12N2OS — CID 2215090

IUPAC2-methylsulfanyl-6-phenylpyridine-3-carboxamide
SMILESCSc1nc(-c2ccccc2)ccc1C(N)=O
InChIInChI=1S/C13H12N2OS/c1-17-13-10(12(14)16)7-8-11(15-13)9-5-3-2-4-6-9/h2-8H,1H3,(H2,14,16)
InChIKeyFXQWOXNFCWJJTL-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.57
Rot. Bonds3

About 2-methylsulfanyl-6-phenylpyridine-3-carboxamide

2-methylsulfanyl-6-phenylpyridine-3-carboxamide (PubChem CID 2215090) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 2-methylsulfanyl-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-6-phenylpyridine-3-carboxamide
PubChem CID2215090
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name2-methylsulfanyl-6-phenylpyridine-3-carboxamide
SMILESCSc1nc(-c2ccccc2)ccc1C(N)=O
InChIInChI=1S/C13H12N2OS/c1-17-13-10(12(14)16)7-8-11(15-13)9-5-3-2-4-6-9/h2-8H,1H3,(H2,14,16)
InChIKeyFXQWOXNFCWJJTL-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methylsulfanyl-6-phenylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-6-phenylpyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-6-phenylpyridine-3-carboxamide (CID 2215090) is 2-methylsulfanyl-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-6-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-6-phenylpyridine-3-carboxamide is CSc1nc(-c2ccccc2)ccc1C(N)=O.
What is the InChIKey of 2-methylsulfanyl-6-phenylpyridine-3-carboxamide?
The InChIKey is FXQWOXNFCWJJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-17-13-10(12(14)16)7-8-11(15-13)9-5-3-2-4-6-9/h2-8H,1H3,(H2,14,16).
What are the key properties of 2-methylsulfanyl-6-phenylpyridine-3-carboxamide?
2-methylsulfanyl-6-phenylpyridine-3-carboxamide has a molecular weight of 244.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 2215090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).