2-naphthalen-2-ylsulfanylpyridine-3-carboxamide

C16H12N2OS — CID 36557143

IUPAC2-naphthalen-2-ylsulfanylpyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Sc1ccc2ccccc2c1
InChIInChI=1S/C16H12N2OS/c17-15(19)14-6-3-9-18-16(14)20-13-8-7-11-4-1-2-5-12(11)10-13/h1-10H,(H2,17,19)
InChIKeyUSTQZHKOJXJATC-UHFFFAOYSA-N
MW280.35 g/mol
LogP3.48
Rot. Bonds3

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

2-naphthalen-2-ylsulfanylpyridine-3-carboxamide (PubChem CID 36557143) has the molecular formula C16H12N2OS and a molecular weight of 280.35 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfanylpyridine-3-carboxamide
PubChem CID36557143
Molecular FormulaC16H12N2OS
Molecular Weight280.35 g/mol
Exact Mass280.07
IUPAC Name2-naphthalen-2-ylsulfanylpyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Sc1ccc2ccccc2c1
InChIInChI=1S/C16H12N2OS/c17-15(19)14-6-3-9-18-16(14)20-13-8-7-11-4-1-2-5-12(11)10-13/h1-10H,(H2,17,19)
InChIKeyUSTQZHKOJXJATC-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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Related Compounds

2-(3,4-difluorophenyl)sulfanylpyridine-3-carboxamide
CID 31536570
2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
CID 725071
2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 24694206
3-amino-2-naphthalen-2-ylsulfanylbenzamide
CID 115935939
(2-amino-2-oxoethyl) 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate
CID 7790621
2-[(3-carbamoyl-2-pyridinyl)sulfanyl]acetic acid
CID 24707226
anthracene-1-carboxamide;pyridine-2-carboxamide
CID 87214967
CID 70080980
CID 70080980
N'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide
CID 43187698
5-chloro-6-naphthalen-2-ylsulfanylpyridine-3-carboxylic acid
CID 43519129
3-amino-2-naphthalen-2-ylsulfanylbenzoic acid
CID 115935940
2-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxylic acid
CID 43395315

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfanylpyridine-3-carboxamide?
The IUPAC name of 2-naphthalen-2-ylsulfanylpyridine-3-carboxamide (CID 36557143) is 2-naphthalen-2-ylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for 2-naphthalen-2-ylsulfanylpyridine-3-carboxamide?
The canonical SMILES for 2-naphthalen-2-ylsulfanylpyridine-3-carboxamide is NC(=O)c1cccnc1Sc1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-ylsulfanylpyridine-3-carboxamide?
The InChIKey is USTQZHKOJXJATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2OS/c17-15(19)14-6-3-9-18-16(14)20-13-8-7-11-4-1-2-5-12(11)10-13/h1-10H,(H2,17,19).
What are the key properties of 2-naphthalen-2-ylsulfanylpyridine-3-carboxamide?
2-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 2-naphthalen-2-ylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 36557143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).