N'-hydroxy-6-(4-methylsulfonylphenoxy)pyridine-3-carboximidamide

C13H13N3O4S — CID 43807024

IUPACN'-hydroxy-6-(4-methylsulfonylphenoxy)pyridine-3-carboximidamide
SMILESCS(=O)(=O)c1ccc(Oc2ccc(/C(N)=N/O)cn2)cc1
InChIInChI=1S/C13H13N3O4S/c1-21(18,19)11-5-3-10(4-6-11)20-12-7-2-9(8-15-12)13(14)16-17/h2-8,17H,1H3,(H2,14,16)
InChIKeyVWRQDGRJSGCKPM-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.37
Rot. Bonds4

About N'-hydroxy-6-(4-methylsulfonylphenoxy)pyridine-3-carboximidamide

N'-hydroxy-6-(4-methylsulfonylphenoxy)pyridine-3-carboximidamide (PubChem CID 43807024) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is N'-hydroxy-6-(4-methylsulfonylphenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-(4-methylsulfonylphenoxy)pyridine-3-carboximidamide
PubChem CID43807024
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC NameN'-hydroxy-6-(4-methylsulfonylphenoxy)pyridine-3-carboximidamide
SMILESCS(=O)(=O)c1ccc(Oc2ccc(/C(N)=N/O)cn2)cc1
InChIInChI=1S/C13H13N3O4S/c1-21(18,19)11-5-3-10(4-6-11)20-12-7-2-9(8-15-12)13(14)16-17/h2-8,17H,1H3,(H2,14,16)
InChIKeyVWRQDGRJSGCKPM-UHFFFAOYSA-N
XLogP1.37
TPSA114.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide
CID 76946444
[4-[(5-methylsulfonyl-2-pyridinyl)oxy]phenyl]-phenylmethanone
CID 511923
6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82716185
6-(2-ethoxyphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 24690415
6-(2-fluoro-3-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 107658401
6-(4-hydroxyphenoxy)pyridine-3-carboxamide
CID 60868756
6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 43364410
N'-hydroxy-6-[3-[[5-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]oxy]-5-(piperazine-1-carbonyl)phenoxy]pyridine-3-carboximidamide
CID 141280453
N'-hydroxy-6-(2-methylbutan-2-yloxy)pyridine-3-carboximidamide
CID 43128332
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-(2,2-difluoroethoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82003968
5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 81447419

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-(4-methylsulfonylphenoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-(4-methylsulfonylphenoxy)pyridine-3-carboximidamide (CID 43807024) is N'-hydroxy-6-(4-methylsulfonylphenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-(4-methylsulfonylphenoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-(4-methylsulfonylphenoxy)pyridine-3-carboximidamide is CS(=O)(=O)c1ccc(Oc2ccc(/C(N)=N/O)cn2)cc1.
What is the InChIKey of N'-hydroxy-6-(4-methylsulfonylphenoxy)pyridine-3-carboximidamide?
The InChIKey is VWRQDGRJSGCKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c1-21(18,19)11-5-3-10(4-6-11)20-12-7-2-9(8-15-12)13(14)16-17/h2-8,17H,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-6-(4-methylsulfonylphenoxy)pyridine-3-carboximidamide?
N'-hydroxy-6-(4-methylsulfonylphenoxy)pyridine-3-carboximidamide has a molecular weight of 307.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-(4-methylsulfonylphenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 43807024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).