5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide

C14H15N3O4 — CID 136990840

IUPAC5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide
SMILESCOc1cc(OC)cc(Oc2ccc(/C(N)=N/O)nc2)c1
InChIInChI=1S/C14H15N3O4/c1-19-10-5-11(20-2)7-12(6-10)21-9-3-4-13(16-8-9)14(15)17-18/h3-8,18H,1-2H3,(H2,15,17)
InChIKeyBNUYRBKSIJQNPD-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.99
Rot. Bonds5

About 5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide

5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide (PubChem CID 136990840) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide
PubChem CID136990840
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide
SMILESCOc1cc(OC)cc(Oc2ccc(/C(N)=N/O)nc2)c1
InChIInChI=1S/C14H15N3O4/c1-19-10-5-11(20-2)7-12(6-10)21-9-3-4-13(16-8-9)14(15)17-18/h3-8,18H,1-2H3,(H2,15,17)
InChIKeyBNUYRBKSIJQNPD-UHFFFAOYSA-N
XLogP1.99
TPSA99.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.99
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-5-methoxypyridine-2-carboximidamide
CID 135743705
N'-hydroxy-5-pyridin-3-yloxypyridine-2-carboximidamide
CID 136990827
5-(3-bromo-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136990918
5-(3-carbamoyl-5-methoxyphenoxy)pyridine-2-carboxylic acid
CID 103566619
N'-hydroxy-5-(4-nitrophenoxy)pyridine-2-carboximidamide
CID 136990849
N',5-dimethoxypyridine-2-carboximidamide
CID 123379844
5-(5-fluoro-2-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136744770
N'-hydroxy-5-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carboximidamide
CID 136967358
N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide
CID 136867042
5-(4-bromo-2-chlorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136990811
5-cyclobutyloxy-N'-hydroxypyridine-2-carboximidamide
CID 136990877
N'-hydroxy-5-(2-phenoxyethoxy)pyridine-2-carboximidamide
CID 136990781

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide?
The IUPAC name of 5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide (CID 136990840) is 5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide.
What is the SMILES notation for 5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide?
The canonical SMILES for 5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide is COc1cc(OC)cc(Oc2ccc(/C(N)=N/O)nc2)c1.
What is the InChIKey of 5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide?
The InChIKey is BNUYRBKSIJQNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-19-10-5-11(20-2)7-12(6-10)21-9-3-4-13(16-8-9)14(15)17-18/h3-8,18H,1-2H3,(H2,15,17).
What are the key properties of 5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide?
5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide has a molecular weight of 289.29 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide is sourced from PubChem (CID 136990840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).