N'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide

C15H17N3O3 — CID 136865767

IUPACN'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(Oc2ccc(CCO)cc2)n1
InChIInChI=1S/C15H17N3O3/c1-10-8-12(15(16)18-20)9-14(17-10)21-13-4-2-11(3-5-13)6-7-19/h2-5,8-9,19-20H,6-7H2,1H3,(H2,16,18)
InChIKeyXVXKWJLMUHNHDK-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.81
Rot. Bonds5

About N'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide

N'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide (PubChem CID 136865767) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide
PubChem CID136865767
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(Oc2ccc(CCO)cc2)n1
InChIInChI=1S/C15H17N3O3/c1-10-8-12(15(16)18-20)9-14(17-10)21-13-4-2-11(3-5-13)6-7-19/h2-5,8-9,19-20H,6-7H2,1H3,(H2,16,18)
InChIKeyXVXKWJLMUHNHDK-UHFFFAOYSA-N
XLogP1.81
TPSA100.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.81
H-Bond Donors ≤ 53
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

2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboxamide
CID 107709693
N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708950
N'-hydroxy-2-methyl-6-(3-phenylpropoxy)pyridine-4-carboximidamide
CID 137013796
N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 137013810
2-[4-(aminomethyl)phenoxy]-6-methylpyridine-4-carboxamide
CID 106485641
2-[(5-bromo-3-pyridinyl)oxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013818
2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013736
3-chloro-N'-hydroxy-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107708937
2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013821
2-(2,5-dimethylpyrazol-3-yl)oxy-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013838
N'-hydroxy-6-(4-propylphenoxy)pyridine-3-carboximidamide
CID 76946444
2-[4-(2-hydroxyethyl)phenoxy]-4,6-dimethylpyridine-3-carbothioamide
CID 107708866

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide (CID 136865767) is N'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide is Cc1cc(/C(N)=N/O)cc(Oc2ccc(CCO)cc2)n1.
What is the InChIKey of N'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide?
The InChIKey is XVXKWJLMUHNHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-8-12(15(16)18-20)9-14(17-10)21-13-4-2-11(3-5-13)6-7-19/h2-5,8-9,19-20H,6-7H2,1H3,(H2,16,18).
What are the key properties of N'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide?
N'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide has a molecular weight of 287.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 136865767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).