N'-hydroxy-2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide

C12H17N3O3 — CID 88623070

IUPACN'-hydroxy-2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide
SMILESNC(=NO)C(OC1CCCCO1)c1ccccn1
InChIInChI=1S/C12H17N3O3/c13-12(15-16)11(9-5-1-3-7-14-9)18-10-6-2-4-8-17-10/h1,3,5,7,10-11,16H,2,4,6,8H2,(H2,13,15)
InChIKeyGGJGDWPKIKWHTD-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.41
Rot. Bonds4

About N'-hydroxy-2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide

N'-hydroxy-2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide (PubChem CID 88623070) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N'-hydroxy-2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide
PubChem CID88623070
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN'-hydroxy-2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide
SMILESNC(=NO)C(OC1CCCCO1)c1ccccn1
InChIInChI=1S/C12H17N3O3/c13-12(15-16)11(9-5-1-3-7-14-9)18-10-6-2-4-8-17-10/h1,3,5,7,10-11,16H,2,4,6,8H2,(H2,13,15)
InChIKeyGGJGDWPKIKWHTD-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
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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Related Compounds

2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide
CID 18411494
N'-hydroxy-2-(4-methylphenyl)-2-(oxan-2-yloxy)ethanimidamide
CID 86617006
2-(oxan-2-yloxy)-N'-pyridin-2-ylethanimidamide
CID 121003590
(1R,2R)-2-(oxan-2-yloxy)-1,2-diphenylethanol
CID 71209539
N,N-dimethyl-5-(oxan-2-yloxy)-2-pyridin-2-ylpentan-1-amine
CID 117065639
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
bis[4-(oxan-2-yloxy)phenyl]-pyridin-2-ylsulfanium
CID 22290223
N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide
CID 131748739
1-[3-[(2R)-oxan-2-yl]oxypropyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine
CID 124872483
1-(oxolan-2-yl)-2-pyridin-2-ylpropan-1-ol
CID 66459307
2-[1-(oxan-2-yloxy)ethyl]-1H-imidazole
CID 166757522
2-[(2S)-1-[2-[(2S)-2-(oxan-2-yloxy)propoxy]phenoxy]propan-2-yl]oxyoxane
CID 10475739

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide?
The IUPAC name of N'-hydroxy-2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide (CID 88623070) is N'-hydroxy-2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide.
What is the SMILES notation for N'-hydroxy-2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide?
The canonical SMILES for N'-hydroxy-2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide is NC(=NO)C(OC1CCCCO1)c1ccccn1.
What is the InChIKey of N'-hydroxy-2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide?
The InChIKey is GGJGDWPKIKWHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-12(15-16)11(9-5-1-3-7-14-9)18-10-6-2-4-8-17-10/h1,3,5,7,10-11,16H,2,4,6,8H2,(H2,13,15).
What are the key properties of N'-hydroxy-2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide?
N'-hydroxy-2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide has a molecular weight of 251.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide is sourced from PubChem (CID 88623070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).