N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carboximidamide

C15H17N3O3 — CID 81036684

IUPACN'-hydroxy-4-[2-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(Oc2ccccc2CO)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C15H17N3O3/c1-9-7-13(14(10(2)17-9)15(16)18-20)21-12-6-4-3-5-11(12)8-19/h3-7,19-20H,8H2,1-2H3,(H2,16,18)
InChIKeyZSKSCGQQVYILSE-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.08
Rot. Bonds4

About N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carboximidamide

N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81036684) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81036684
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN'-hydroxy-4-[2-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(Oc2ccccc2CO)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C15H17N3O3/c1-9-7-13(14(10(2)17-9)15(16)18-20)21-12-6-4-3-5-11(12)8-19/h3-7,19-20H,8H2,1-2H3,(H2,16,18)
InChIKeyZSKSCGQQVYILSE-UHFFFAOYSA-N
XLogP2.08
TPSA100.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.08
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

N'-hydroxy-4-(2-methoxyphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81035865
N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 137013810
4-(2,4-difluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81036289
N'-hydroxy-4-(2-hydroxyethoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81054803
4-(3-bromophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81054592
N'-hydroxy-4-(3-methoxypropoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81054457
4-(4-chloro-3-fluorophenoxy)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 82718060
N'-hydroxy-2,6-dimethyl-4-(4-methylpentan-2-yloxy)pyridine-3-carboximidamide
CID 81054526
3-bromo-N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 82799625
4-cyclobutyloxy-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81054177
N'-hydroxy-4-(1-methoxypropan-2-yloxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81054528
[2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyphenyl]methanol
CID 107713463

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carboximidamide (CID 81036684) is N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carboximidamide is Cc1cc(Oc2ccccc2CO)c(/C(N)=N/O)c(C)n1.
What is the InChIKey of N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is ZSKSCGQQVYILSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-7-13(14(10(2)17-9)15(16)18-20)21-12-6-4-3-5-11(12)8-19/h3-7,19-20H,8H2,1-2H3,(H2,16,18).
What are the key properties of N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carboximidamide?
N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 287.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81036684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).