N'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide

C11H15N3O3 — CID 136845279

IUPACN'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(OCC2CCOC2)c1
InChIInChI=1S/C11H15N3O3/c12-11(14-15)9-1-3-13-10(5-9)17-7-8-2-4-16-6-8/h1,3,5,8,15H,2,4,6-7H2,(H2,12,14)
InChIKeyPVHHBVUGFXHWKZ-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.59
Rot. Bonds4

About N'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide

N'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide (PubChem CID 136845279) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide
PubChem CID136845279
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(OCC2CCOC2)c1
InChIInChI=1S/C11H15N3O3/c12-11(14-15)9-1-3-13-10(5-9)17-7-8-2-4-16-6-8/h1,3,5,8,15H,2,4,6-7H2,(H2,12,14)
InChIKeyPVHHBVUGFXHWKZ-UHFFFAOYSA-N
XLogP0.59
TPSA89.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.59
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'}

Analyze N'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-hydroxy-3-methyl-4-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 54976809
N'-hydroxy-3-methoxy-5-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 103567613
4-(oxolan-3-ylmethoxy)pyrimidin-2-amine
CID 68633908
2-(oxan-4-ylmethoxy)pyridin-4-amine
CID 62381987
N'-hydroxy-2-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide
CID 135995700
2-(2,2-difluoroethoxy)-N'-hydroxypyridine-4-carboximidamide
CID 155271721
N'-hydroxy-2-(oxolan-3-ylmethoxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79874778
N'-hydroxy-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]pyridine-4-carboximidamide
CID 136920317
2-(cyclohexylmethoxy)pyridine-4-carbothioamide
CID 62384097
N'-hydroxy-5-nitro-2-(oxolan-3-ylmethoxy)benzenecarboximidamide
CID 76935447
[2-(oxan-4-ylmethoxy)-4-pyridinyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 121017408
2-(oxan-4-ylmethoxy)-N-(1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 121017397

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide (CID 136845279) is N'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide is N/C(=N/O)c1ccnc(OCC2CCOC2)c1.
What is the InChIKey of N'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide?
The InChIKey is PVHHBVUGFXHWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-11(14-15)9-1-3-13-10(5-9)17-7-8-2-4-16-6-8/h1,3,5,8,15H,2,4,6-7H2,(H2,12,14).
What are the key properties of N'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide?
N'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide has a molecular weight of 237.26 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(oxolan-3-ylmethoxy)pyridine-4-carboximidamide is sourced from PubChem (CID 136845279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).