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

C14H15N3O3 — CID 137013810

IUPACN'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(Oc2ccccc2CO)n1
InChIInChI=1S/C14H15N3O3/c1-9-6-11(14(15)17-19)7-13(16-9)20-12-5-3-2-4-10(12)8-18/h2-7,18-19H,8H2,1H3,(H2,15,17)
InChIKeyMPUAAZGQZXGAAU-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.77
Rot. Bonds4

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

N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide (PubChem CID 137013810) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide
PubChem CID137013810
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(Oc2ccccc2CO)n1
InChIInChI=1S/C14H15N3O3/c1-9-6-11(14(15)17-19)7-13(16-9)20-12-5-3-2-4-10(12)8-18/h2-7,18-19H,8H2,1H3,(H2,15,17)
InChIKeyMPUAAZGQZXGAAU-UHFFFAOYSA-N
XLogP1.77
TPSA100.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.77
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-(hydroxymethyl)phenoxy]-2,6-dimethylpyridine-3-carboximidamide
CID 81036684
2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013736
2-[(2-bromophenyl)methoxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013848
2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013821
N'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 136865767
[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanol
CID 107713532
2-methyl-6-naphthalen-1-yloxypyridine-4-carbothioamide
CID 114768114
3-bromo-N'-hydroxy-4-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 82799625
N'-hydroxy-2-methyl-6-(3-phenylpropoxy)pyridine-4-carboximidamide
CID 137013796
[2-(6-methylpyridazin-3-yl)oxyphenyl]methanol
CID 107713519
N'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide
CID 137013719
2-(5-bromo-2,3-difluorophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 136860120

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide (CID 137013810) is N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide is Cc1cc(/C(N)=N/O)cc(Oc2ccccc2CO)n1.
What is the InChIKey of N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide?
The InChIKey is MPUAAZGQZXGAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-6-11(14(15)17-19)7-13(16-9)20-12-5-3-2-4-10(12)8-18/h2-7,18-19H,8H2,1H3,(H2,15,17).
What are the key properties of N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide?
N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide has a molecular weight of 273.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-(hydroxymethyl)phenoxy]-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 137013810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).