2-naphthalen-2-ylsulfanylpyridine-4-carboximidamide

C16H13N3S — CID 43519184

IUPAC2-naphthalen-2-ylsulfanylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Sc2ccc3ccccc3c2)c1
InChIInChI=1S/C16H13N3S/c17-16(18)13-7-8-19-15(10-13)20-14-6-5-11-3-1-2-4-12(11)9-14/h1-10H,(H3,17,18)
InChIKeyIBSSKZWOSKJZAO-UHFFFAOYSA-N
MW279.37 g/mol
LogP3.67
Rot. Bonds3

About 2-naphthalen-2-ylsulfanylpyridine-4-carboximidamide

2-naphthalen-2-ylsulfanylpyridine-4-carboximidamide (PubChem CID 43519184) has the molecular formula C16H13N3S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-naphthalen-2-ylsulfanylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-naphthalen-2-ylsulfanylpyridine-4-carboximidamide
PubChem CID43519184
Molecular FormulaC16H13N3S
Molecular Weight279.37 g/mol
Exact Mass279.08
IUPAC Name2-naphthalen-2-ylsulfanylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Sc2ccc3ccccc3c2)c1
InChIInChI=1S/C16H13N3S/c17-16(18)13-7-8-19-15(10-13)20-14-6-5-11-3-1-2-4-12(11)9-14/h1-10H,(H3,17,18)
InChIKeyIBSSKZWOSKJZAO-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-naphthalen-2-ylsulfanylpyridine-2-carboximidamide
CID 115490136
2-(3-methylbutan-2-ylsulfanyl)pyridine-4-carboximidamide
CID 107750066
2-(3-hydroxybutan-2-ylsulfanyl)pyridine-4-carboximidamide
CID 107770746
3-naphthalen-2-ylsulfanylisoquinoline
CID 132603220
5-fluoro-2-naphthalen-2-ylsulfanylbenzenecarboximidamide
CID 63669702
4-chloro-6-naphthalen-2-ylsulfanylpyrimidine
CID 61277554
1,3-dimethyl-5-naphthalen-2-ylsulfanylpyrazole-4-carboximidamide
CID 63752643
2-[3-(4-carbamimidoyl-2-pyridinyl)phenyl]pyridine-4-carboximidamide;dihydrochloride
CID 90664992
4-pyrimidin-4-ylsulfanylbenzenecarboximidamide
CID 63697461
4-(3-carbamimidoylphenyl)pyrimidine-2-carboximidamide
CID 11776427
2-(hydroxymethyl)pyridine-4-carboximidamide
CID 157277304
2-methyl-6-(4-methylpyrimidin-2-yl)sulfanylpyridine-4-carboximidamide
CID 114769659

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-ylsulfanylpyridine-4-carboximidamide?
The IUPAC name of 2-naphthalen-2-ylsulfanylpyridine-4-carboximidamide (CID 43519184) is 2-naphthalen-2-ylsulfanylpyridine-4-carboximidamide.
What is the SMILES notation for 2-naphthalen-2-ylsulfanylpyridine-4-carboximidamide?
The canonical SMILES for 2-naphthalen-2-ylsulfanylpyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Sc2ccc3ccccc3c2)c1.
What is the InChIKey of 2-naphthalen-2-ylsulfanylpyridine-4-carboximidamide?
The InChIKey is IBSSKZWOSKJZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3S/c17-16(18)13-7-8-19-15(10-13)20-14-6-5-11-3-1-2-4-12(11)9-14/h1-10H,(H3,17,18).
What are the key properties of 2-naphthalen-2-ylsulfanylpyridine-4-carboximidamide?
2-naphthalen-2-ylsulfanylpyridine-4-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 2-naphthalen-2-ylsulfanylpyridine-4-carboximidamide is sourced from PubChem (CID 43519184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).