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

C15H17N3O3 — CID 107712563

IUPACN'-hydroxy-2-[2-(2-hydroxyethyl)phenoxy]-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(Oc2ccccc2CCO)n1
InChIInChI=1S/C15H17N3O3/c1-10-6-7-12(14(16)18-20)15(17-10)21-13-5-3-2-4-11(13)8-9-19/h2-7,19-20H,8-9H2,1H3,(H2,16,18)
InChIKeyOKVUROHMNZWTTH-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.81
Rot. Bonds5

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

N'-hydroxy-2-[2-(2-hydroxyethyl)phenoxy]-6-methylpyridine-3-carboximidamide (PubChem CID 107712563) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(2-hydroxyethyl)phenoxy]-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(2-hydroxyethyl)phenoxy]-6-methylpyridine-3-carboximidamide
PubChem CID107712563
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN'-hydroxy-2-[2-(2-hydroxyethyl)phenoxy]-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(N)=N/O)c(Oc2ccccc2CCO)n1
InChIInChI=1S/C15H17N3O3/c1-10-6-7-12(14(16)18-20)15(17-10)21-13-5-3-2-4-11(13)8-9-19/h2-7,19-20H,8-9H2,1H3,(H2,16,18)
InChIKeyOKVUROHMNZWTTH-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-(2-ethoxyphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916371
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide
CID 76916322
N'-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56675946
2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916350
N'-hydroxy-4-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712587
2-(2-bromo-4-fluorophenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916330
N'-hydroxy-2-(2-hydroxyethyl)benzenecarboximidamide
CID 142791611
2-(2-chloro-5-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916295
2-(4-chloro-2-methylphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916435
2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916311
2-[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]phenyl]ethanol
CID 107713663
2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916332

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(2-hydroxyethyl)phenoxy]-6-methylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[2-(2-hydroxyethyl)phenoxy]-6-methylpyridine-3-carboximidamide (CID 107712563) is N'-hydroxy-2-[2-(2-hydroxyethyl)phenoxy]-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(2-hydroxyethyl)phenoxy]-6-methylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[2-(2-hydroxyethyl)phenoxy]-6-methylpyridine-3-carboximidamide is Cc1ccc(/C(N)=N/O)c(Oc2ccccc2CCO)n1.
What is the InChIKey of N'-hydroxy-2-[2-(2-hydroxyethyl)phenoxy]-6-methylpyridine-3-carboximidamide?
The InChIKey is OKVUROHMNZWTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-6-7-12(14(16)18-20)15(17-10)21-13-5-3-2-4-11(13)8-9-19/h2-7,19-20H,8-9H2,1H3,(H2,16,18).
What are the key properties of N'-hydroxy-2-[2-(2-hydroxyethyl)phenoxy]-6-methylpyridine-3-carboximidamide?
N'-hydroxy-2-[2-(2-hydroxyethyl)phenoxy]-6-methylpyridine-3-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-[2-(2-hydroxyethyl)phenoxy]-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 107712563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).