N'-hydroxy-2-methyl-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboximidamide

C11H18N4O3S — CID 137013614

IUPACN'-hydroxy-2-methyl-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(N(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C11H18N4O3S/c1-8-6-9(11(12)14-16)7-10(13-8)15(2)4-5-19(3,17)18/h6-7,16H,4-5H2,1-3H3,(H2,12,14)
InChIKeyJXUXUNLSJINIRL-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.03
Rot. Bonds5

About N'-hydroxy-2-methyl-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboximidamide

N'-hydroxy-2-methyl-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboximidamide (PubChem CID 137013614) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboximidamide
PubChem CID137013614
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC NameN'-hydroxy-2-methyl-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(N(C)CCS(C)(=O)=O)n1
InChIInChI=1S/C11H18N4O3S/c1-8-6-9(11(12)14-16)7-10(13-8)15(2)4-5-19(3,17)18/h6-7,16H,4-5H2,1-3H3,(H2,12,14)
InChIKeyJXUXUNLSJINIRL-UHFFFAOYSA-N
XLogP-0.03
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.03
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-2-[3-hydroxybutyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 136992386
2-[2-(cyclopropylmethoxy)ethyl-methylamino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013624
2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 80928821
2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid
CID 79858550
N'-hydroxy-2-[1-hydroxypropan-2-yl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 137013645
N'-hydroxy-2-methyl-6-[pentyl(propan-2-yl)amino]pyridine-4-carboximidamide
CID 137013492
2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide
CID 114767217
2-methyl-6-[methyl-[2-(methylamino)ethyl]amino]pyridine-4-carboxamide
CID 114770079
2-[2-ethoxyethyl(ethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013571
2-[cycloheptyl(methyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013422
N'-hydroxy-2-methyl-6-[methyl(4-methylsulfanylbutan-2-yl)amino]pyridine-4-carboximidamide
CID 137013656
2-tert-butyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80960082

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-methyl-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboximidamide (CID 137013614) is N'-hydroxy-2-methyl-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-methyl-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboximidamide is Cc1cc(/C(N)=N/O)cc(N(C)CCS(C)(=O)=O)n1.
What is the InChIKey of N'-hydroxy-2-methyl-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboximidamide?
The InChIKey is JXUXUNLSJINIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-8-6-9(11(12)14-16)7-10(13-8)15(2)4-5-19(3,17)18/h6-7,16H,4-5H2,1-3H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-methyl-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboximidamide?
N'-hydroxy-2-methyl-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboximidamide has a molecular weight of 286.36 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboximidamide is sourced from PubChem (CID 137013614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).