6-naphthalen-1-ylsulfanylpyridine-3-carboxamide

C16H12N2OS — CID 118717119

IUPAC6-naphthalen-1-ylsulfanylpyridine-3-carboxamide
SMILESNC(=O)c1ccc(Sc2cccc3ccccc23)nc1
InChIInChI=1S/C16H12N2OS/c17-16(19)12-8-9-15(18-10-12)20-14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H2,17,19)
InChIKeyPNEXZIRKZWESCY-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.48
Rot. Bonds3

About 6-naphthalen-1-ylsulfanylpyridine-3-carboxamide

6-naphthalen-1-ylsulfanylpyridine-3-carboxamide (PubChem CID 118717119) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is 6-naphthalen-1-ylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-naphthalen-1-ylsulfanylpyridine-3-carboxamide
PubChem CID118717119
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name6-naphthalen-1-ylsulfanylpyridine-3-carboxamide
SMILESNC(=O)c1ccc(Sc2cccc3ccccc23)nc1
InChIInChI=1S/C16H12N2OS/c17-16(19)12-8-9-15(18-10-12)20-14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H2,17,19)
InChIKeyPNEXZIRKZWESCY-UHFFFAOYSA-N
XLogP3.48
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-naphthalen-1-ylsulfanylpyridine-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 6-naphthalen-1-ylsulfanylpyridine-3-carboxamide?
The IUPAC name of 6-naphthalen-1-ylsulfanylpyridine-3-carboxamide (CID 118717119) is 6-naphthalen-1-ylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for 6-naphthalen-1-ylsulfanylpyridine-3-carboxamide?
The canonical SMILES for 6-naphthalen-1-ylsulfanylpyridine-3-carboxamide is NC(=O)c1ccc(Sc2cccc3ccccc23)nc1.
What is the InChIKey of 6-naphthalen-1-ylsulfanylpyridine-3-carboxamide?
The InChIKey is PNEXZIRKZWESCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c17-16(19)12-8-9-15(18-10-12)20-14-7-3-5-11-4-1-2-6-13(11)14/h1-10H,(H2,17,19).
What are the key properties of 6-naphthalen-1-ylsulfanylpyridine-3-carboxamide?
6-naphthalen-1-ylsulfanylpyridine-3-carboxamide has a molecular weight of 280.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-ylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 118717119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).