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

C14H15N3O3 — CID 76916322

IUPACN'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(Oc2ccc(CO)cc2)n1
InChIInChI=1S/C14H15N3O3/c1-9-2-7-12(13(15)17-19)14(16-9)20-11-5-3-10(8-18)4-6-11/h2-7,18-19H,8H2,1H3,(H2,15,17)
InChIKeyZOCRXIHJGGIGRJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.77
Rot. Bonds4

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

N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide (PubChem CID 76916322) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide
PubChem CID76916322
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(Oc2ccc(CO)cc2)n1
InChIInChI=1S/C14H15N3O3/c1-9-2-7-12(13(15)17-19)14(16-9)20-11-5-3-10(8-18)4-6-11/h2-7,18-19H,8H2,1H3,(H2,15,17)
InChIKeyZOCRXIHJGGIGRJ-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

2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboxamide
CID 79868967
N'-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56675946
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61228172
2-(4-chloro-3-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916421
2-(3-fluoro-4-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 107169383
2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916350
N'-hydroxy-2-[2-(2-hydroxyethyl)phenoxy]-6-methylpyridine-3-carboximidamide
CID 107712563
2-(2-ethoxyphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916371
6-methyl-2-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxamide
CID 106486726
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-3-methylbenzenecarboximidamide
CID 107109785
2-(2-bromo-4-fluorophenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916330
2-(2-chloro-5-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916295

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide (CID 76916322) is N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide is Cc1ccc(C(N)=NO)c(Oc2ccc(CO)cc2)n1.
What is the InChIKey of N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide?
The InChIKey is ZOCRXIHJGGIGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-2-7-12(13(15)17-19)14(16-9)20-11-5-3-10(8-18)4-6-11/h2-7,18-19H,8H2,1H3,(H2,15,17).
What are the key properties of N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide?
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-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-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 76916322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).