N-(6-fluoro-2-pyridinyl)-2-(3-methylazetidin-3-yl)oxyacetamide

C11H14FN3O2 — CID 102656635

IUPACN-(6-fluoro-2-pyridinyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC1(OCC(=O)Nc2cccc(F)n2)CNC1
InChIInChI=1S/C11H14FN3O2/c1-11(6-13-7-11)17-5-10(16)15-9-4-2-3-8(12)14-9/h2-4,13H,5-7H2,1H3,(H,14,15,16)
InChIKeyZSBIQJLITJIQGX-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.54
Rot. Bonds4

About N-(6-fluoro-2-pyridinyl)-2-(3-methylazetidin-3-yl)oxyacetamide

N-(6-fluoro-2-pyridinyl)-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102656635) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is N-(6-fluoro-2-pyridinyl)-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(6-fluoro-2-pyridinyl)-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102656635
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC NameN-(6-fluoro-2-pyridinyl)-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCC1(OCC(=O)Nc2cccc(F)n2)CNC1
InChIInChI=1S/C11H14FN3O2/c1-11(6-13-7-11)17-5-10(16)15-9-4-2-3-8(12)14-9/h2-4,13H,5-7H2,1H3,(H,14,15,16)
InChIKeyZSBIQJLITJIQGX-UHFFFAOYSA-N
XLogP0.54
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-pyridinyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-(6-fluoro-2-pyridinyl)-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102656635) is N-(6-fluoro-2-pyridinyl)-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-(6-fluoro-2-pyridinyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-(6-fluoro-2-pyridinyl)-2-(3-methylazetidin-3-yl)oxyacetamide is CC1(OCC(=O)Nc2cccc(F)n2)CNC1.
What is the InChIKey of N-(6-fluoro-2-pyridinyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is ZSBIQJLITJIQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-11(6-13-7-11)17-5-10(16)15-9-4-2-3-8(12)14-9/h2-4,13H,5-7H2,1H3,(H,14,15,16).
What are the key properties of N-(6-fluoro-2-pyridinyl)-2-(3-methylazetidin-3-yl)oxyacetamide?
N-(6-fluoro-2-pyridinyl)-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 239.25 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-pyridinyl)-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102656635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).