2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide

C12H17N3O2 — CID 18411494

IUPAC2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide
SMILES[H]/N=C(\N)C(OC1CCCCO1)c1ccccn1
InChIInChI=1S/C12H17N3O2/c13-12(14)11(9-5-1-3-7-15-9)17-10-6-2-4-8-16-10/h1,3,5,7,10-11H,2,4,6,8H2,(H3,13,14)
InChIKeyZZUQWMZCPAQZRY-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.60
Rot. Bonds4

About 2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide

2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide (PubChem CID 18411494) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide.

Molecular Properties

Compound Name2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide
PubChem CID18411494
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide
SMILES[H]/N=C(\N)C(OC1CCCCO1)c1ccccn1
InChIInChI=1S/C12H17N3O2/c13-12(14)11(9-5-1-3-7-15-9)17-10-6-2-4-8-16-10/h1,3,5,7,10-11H,2,4,6,8H2,(H3,13,14)
InChIKeyZZUQWMZCPAQZRY-UHFFFAOYSA-N
XLogP1.60
TPSA81.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide?
The IUPAC name of 2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide (CID 18411494) is 2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide.
What is the SMILES notation for 2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide?
The canonical SMILES for 2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide is [H]/N=C(\N)C(OC1CCCCO1)c1ccccn1.
What is the InChIKey of 2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide?
The InChIKey is ZZUQWMZCPAQZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-12(14)11(9-5-1-3-7-15-9)17-10-6-2-4-8-16-10/h1,3,5,7,10-11H,2,4,6,8H2,(H3,13,14).
What are the key properties of 2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide?
2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide has a molecular weight of 235.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yloxy)-2-pyridin-2-ylethanimidamide is sourced from PubChem (CID 18411494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).