N'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide

C15H17N3O2S — CID 77003380

IUPACN'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide
SMILESCSc1ccc(Oc2nc(C)cc(C)c2C(N)=NO)cc1
InChIInChI=1S/C15H17N3O2S/c1-9-8-10(2)17-15(13(9)14(16)18-19)20-11-4-6-12(21-3)7-5-11/h4-8,19H,1-3H3,(H2,16,18)
InChIKeyRHYYTRISJKJJFX-UHFFFAOYSA-N
MW303.39 g/mol
LogP3.31
Rot. Bonds4

About N'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide

N'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide (PubChem CID 77003380) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide
PubChem CID77003380
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide
SMILESCSc1ccc(Oc2nc(C)cc(C)c2C(N)=NO)cc1
InChIInChI=1S/C15H17N3O2S/c1-9-8-10(2)17-15(13(9)14(16)18-19)20-11-4-6-12(21-3)7-5-11/h4-8,19H,1-3H3,(H2,16,18)
InChIKeyRHYYTRISJKJJFX-UHFFFAOYSA-N
XLogP3.31
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61228172
2-(4-bromo-3-fluorophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 77059488
N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
CID 61176184
N'-hydroxy-2-(3-methoxyphenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175614
2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61176370
2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 116801421
N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide
CID 61177131
N'-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56675946
2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 107169383
2-(3,4-difluorophenyl)sulfanyl-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61177139
2-(4-fluorophenoxy)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678648
2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 61176908

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide (CID 77003380) is N'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide is CSc1ccc(Oc2nc(C)cc(C)c2C(N)=NO)cc1.
What is the InChIKey of N'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide?
The InChIKey is RHYYTRISJKJJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-9-8-10(2)17-15(13(9)14(16)18-19)20-11-4-6-12(21-3)7-5-11/h4-8,19H,1-3H3,(H2,16,18).
What are the key properties of N'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide?
N'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide has a molecular weight of 303.39 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 77003380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).