2-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]isoindole-1,3-dione

C19H20FN3O3 — CID 52951945

IUPAC2-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]isoindole-1,3-dione
SMILESCCN(CCOc1cccnc1F)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H20FN3O3/c1-2-22(12-13-26-16-8-5-9-21-17(16)20)10-11-23-18(24)14-6-3-4-7-15(14)19(23)25/h3-9H,2,10-13H2,1H3
InChIKeyYIFJBRNEBUCWCP-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.22
Rot. Bonds8

About 2-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]isoindole-1,3-dione

2-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]isoindole-1,3-dione (PubChem CID 52951945) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]isoindole-1,3-dione
PubChem CID52951945
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name2-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]isoindole-1,3-dione
SMILESCCN(CCOc1cccnc1F)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H20FN3O3/c1-2-22(12-13-26-16-8-5-9-21-17(16)20)10-11-23-18(24)14-6-3-4-7-15(14)19(23)25/h3-9H,2,10-13H2,1H3
InChIKeyYIFJBRNEBUCWCP-UHFFFAOYSA-N
XLogP2.22
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]isoindole-1,3-dione 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-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]isoindole-1,3-dione (CID 52951945) is 2-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]isoindole-1,3-dione is CCN(CCOc1cccnc1F)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]isoindole-1,3-dione?
The InChIKey is YIFJBRNEBUCWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-2-22(12-13-26-16-8-5-9-21-17(16)20)10-11-23-18(24)14-6-3-4-7-15(14)19(23)25/h3-9H,2,10-13H2,1H3.
What are the key properties of 2-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]isoindole-1,3-dione?
2-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]isoindole-1,3-dione has a molecular weight of 357.39 g/mol, XLogP of 2.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl-[2-[(2-fluoro-3-pyridinyl)oxy]ethyl]amino]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 52951945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).