5-naphthalen-2-ylsulfanylpyridine-3-carboxamide

C16H12N2OS — CID 118717122

IUPAC5-naphthalen-2-ylsulfanylpyridine-3-carboxamide
SMILESNC(=O)c1cncc(Sc2ccc3ccccc3c2)c1
InChIInChI=1S/C16H12N2OS/c17-16(19)13-8-15(10-18-9-13)20-14-6-5-11-3-1-2-4-12(11)7-14/h1-10H,(H2,17,19)
InChIKeyPNZKIFUFRJYJPC-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.48
Rot. Bonds3

About 5-naphthalen-2-ylsulfanylpyridine-3-carboxamide

5-naphthalen-2-ylsulfanylpyridine-3-carboxamide (PubChem CID 118717122) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is 5-naphthalen-2-ylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-naphthalen-2-ylsulfanylpyridine-3-carboxamide
PubChem CID118717122
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name5-naphthalen-2-ylsulfanylpyridine-3-carboxamide
SMILESNC(=O)c1cncc(Sc2ccc3ccccc3c2)c1
InChIInChI=1S/C16H12N2OS/c17-16(19)13-8-15(10-18-9-13)20-14-6-5-11-3-1-2-4-12(11)7-14/h1-10H,(H2,17,19)
InChIKeyPNZKIFUFRJYJPC-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

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-ylsulfanylpyridine-3-carboxamide?
The IUPAC name of 5-naphthalen-2-ylsulfanylpyridine-3-carboxamide (CID 118717122) is 5-naphthalen-2-ylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for 5-naphthalen-2-ylsulfanylpyridine-3-carboxamide?
The canonical SMILES for 5-naphthalen-2-ylsulfanylpyridine-3-carboxamide is NC(=O)c1cncc(Sc2ccc3ccccc3c2)c1.
What is the InChIKey of 5-naphthalen-2-ylsulfanylpyridine-3-carboxamide?
The InChIKey is PNZKIFUFRJYJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c17-16(19)13-8-15(10-18-9-13)20-14-6-5-11-3-1-2-4-12(11)7-14/h1-10H,(H2,17,19).
What are the key properties of 5-naphthalen-2-ylsulfanylpyridine-3-carboxamide?
5-naphthalen-2-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 5-naphthalen-2-ylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 118717122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).