5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide

C16H13N3S — CID 115490136

IUPAC5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2ccc3ccccc3c2)cn1
InChIInChI=1S/C16H13N3S/c17-16(18)15-8-7-14(10-19-15)20-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H3,17,18)
InChIKeyJDMSPIPLHOTDFY-UHFFFAOYSA-N
MW279.37 g/mol
LogP3.67
Rot. Bonds3

About 5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide

5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide (PubChem CID 115490136) has the molecular formula C16H13N3S and a molecular weight of 279.37 g/mol. Its IUPAC name is 5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide.

Molecular Properties

Compound Name5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide
PubChem CID115490136
Molecular FormulaC16H13N3S
Molecular Weight279.37 g/mol
Exact Mass279.08
IUPAC Name5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2ccc3ccccc3c2)cn1
InChIInChI=1S/C16H13N3S/c17-16(18)15-8-7-14(10-19-15)20-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H3,17,18)
InChIKeyJDMSPIPLHOTDFY-UHFFFAOYSA-N
XLogP3.67
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-(3,5-dichlorophenyl)sulfanylpyridine-2-carboximidamide
CID 112736289
5-(4,6-dimethylpyrimidin-2-yl)sulfanylpyridine-2-carboximidamide
CID 113321389
5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)pyridine-2-carboximidamide
CID 115490183
5-(1H-benzimidazol-2-ylsulfanyl)pyridine-2-carboximidamide
CID 115490107
isoquinoline-3-carboximidamide
CID 5069411
2-naphthalen-2-ylsulfanylpyridine-4-carboximidamide
CID 43519184
5-(1,2,4-thiadiazol-5-ylsulfanyl)pyridine-2-carboximidamide
CID 115490181
5-tert-butylsulfanylpyridine-2-carboximidamide
CID 71756587
5-[(2-methylphenyl)methylsulfanyl]pyridine-2-carboximidamide
CID 113321392
5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide
CID 115490097
5-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-2-carboximidamide
CID 113321384
5-(oxetan-3-ylsulfanyl)pyridine-2-carboximidamide
CID 115490175

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide?
The IUPAC name of 5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide (CID 115490136) is 5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide.
What is the SMILES notation for 5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide?
The canonical SMILES for 5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(Sc2ccc3ccccc3c2)cn1.
What is the InChIKey of 5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide?
The InChIKey is JDMSPIPLHOTDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3S/c17-16(18)15-8-7-14(10-19-15)20-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H3,17,18).
What are the key properties of 5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide?
5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide has a molecular weight of 279.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-ylsulfanylpyridine-2-carboximidamide is sourced from PubChem (CID 115490136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).