N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide

C19H19N3O2S — CID 56676193

IUPACN-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide
SMILESCc1ccc(Oc2nc(C)ccc2/C(=N/Cc2cccs2)NO)cc1
InChIInChI=1S/C19H19N3O2S/c1-13-5-8-15(9-6-13)24-19-17(10-7-14(2)21-19)18(22-23)20-12-16-4-3-11-25-16/h3-11,23H,12H2,1-2H3,(H,20,22)
InChIKeyZYXWBMALXAIIII-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.48
Rot. Bonds5

About N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide

N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide (PubChem CID 56676193) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide
PubChem CID56676193
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide
SMILESCc1ccc(Oc2nc(C)ccc2/C(=N/Cc2cccs2)NO)cc1
InChIInChI=1S/C19H19N3O2S/c1-13-5-8-15(9-6-13)24-19-17(10-7-14(2)21-19)18(22-23)20-12-16-4-3-11-25-16/h3-11,23H,12H2,1-2H3,(H,20,22)
InChIKeyZYXWBMALXAIIII-UHFFFAOYSA-N
XLogP4.48
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.48
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-dibenzofuran-2-yloxy-N-hydroxy-6-methyl-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide
CID 56679439
N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-phenylpyridine-3-carboximidamide
CID 56682573
N'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
CID 56662107
N'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56658619
N'-(cyclopropylmethyl)-N-hydroxy-6-methyl-2-naphthalen-2-yloxypyridine-3-carboximidamide
CID 56682339
2-(3-chloro-4-fluorophenoxy)-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide
CID 56668592
2-(2,5-dichlorophenoxy)-N'-[(2,6-difluorophenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56671972
N-hydroxy-2-(4-methoxyphenoxy)-6-methyl-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide
CID 56679524
2-(2,5-dichlorophenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56682010
6-(4-methylphenoxy)-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,5-diamine
CID 19152667
6-methyl-2-(2-thiophen-2-ylethoxy)pyridine-3-carboxylic acid
CID 62702609
N-hydroxy-N'-(4-methylphenyl)thiophene-2-carboximidamide
CID 611980

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide?
The IUPAC name of N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide (CID 56676193) is N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide.
What is the SMILES notation for N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide?
The canonical SMILES for N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide is Cc1ccc(Oc2nc(C)ccc2/C(=N/Cc2cccs2)NO)cc1.
What is the InChIKey of N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide?
The InChIKey is ZYXWBMALXAIIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-5-8-15(9-6-13)24-19-17(10-7-14(2)21-19)18(22-23)20-12-16-4-3-11-25-16/h3-11,23H,12H2,1-2H3,(H,20,22).
What are the key properties of N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide?
N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide has a molecular weight of 353.45 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-methyl-2-(4-methylphenoxy)-N'-(thiophen-2-ylmethyl)pyridine-3-carboximidamide is sourced from PubChem (CID 56676193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).