N'-hydroxy-5-(oxan-4-ylmethoxy)pyridine-2-carboximidamide

C12H17N3O3 — CID 136967354

IUPACN'-hydroxy-5-(oxan-4-ylmethoxy)pyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(OCC2CCOCC2)cn1
InChIInChI=1S/C12H17N3O3/c13-12(15-16)11-2-1-10(7-14-11)18-8-9-3-5-17-6-4-9/h1-2,7,9,16H,3-6,8H2,(H2,13,15)
InChIKeyFLMHVNKLAQEEOA-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.98
Rot. Bonds4

About N'-hydroxy-5-(oxan-4-ylmethoxy)pyridine-2-carboximidamide

N'-hydroxy-5-(oxan-4-ylmethoxy)pyridine-2-carboximidamide (PubChem CID 136967354) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N'-hydroxy-5-(oxan-4-ylmethoxy)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(oxan-4-ylmethoxy)pyridine-2-carboximidamide
PubChem CID136967354
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN'-hydroxy-5-(oxan-4-ylmethoxy)pyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(OCC2CCOCC2)cn1
InChIInChI=1S/C12H17N3O3/c13-12(15-16)11-2-1-10(7-14-11)18-8-9-3-5-17-6-4-9/h1-2,7,9,16H,3-6,8H2,(H2,13,15)
InChIKeyFLMHVNKLAQEEOA-UHFFFAOYSA-N
XLogP0.98
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(oxan-4-ylmethoxy)pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-(oxan-4-ylmethoxy)pyridine-2-carboximidamide (CID 136967354) is N'-hydroxy-5-(oxan-4-ylmethoxy)pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-(oxan-4-ylmethoxy)pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-(oxan-4-ylmethoxy)pyridine-2-carboximidamide is N/C(=N/O)c1ccc(OCC2CCOCC2)cn1.
What is the InChIKey of N'-hydroxy-5-(oxan-4-ylmethoxy)pyridine-2-carboximidamide?
The InChIKey is FLMHVNKLAQEEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-12(15-16)11-2-1-10(7-14-11)18-8-9-3-5-17-6-4-9/h1-2,7,9,16H,3-6,8H2,(H2,13,15).
What are the key properties of N'-hydroxy-5-(oxan-4-ylmethoxy)pyridine-2-carboximidamide?
N'-hydroxy-5-(oxan-4-ylmethoxy)pyridine-2-carboximidamide has a molecular weight of 251.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(oxan-4-ylmethoxy)pyridine-2-carboximidamide is sourced from PubChem (CID 136967354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).