4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methyl(18F)aniline

C20H25FN2O3 — CID 24822371

💊View drug profile → Florbetapir F-18
IUPAC4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methyl(18F)aniline
SMILESCNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])nc2)cc1
InChIInChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+/i21-1
InChIKeyYNDIAUKFXKEXSV-CRYLGTRXSA-N
MW359.43 g/mol
LogP3.68
Rot. Bonds12

About 4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methyl(18F)aniline

4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methyl(18F)aniline (PubChem CID 24822371) has the molecular formula C20H25FN2O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methyl(18F)aniline.

Molecular Properties

Compound Name4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methyl(18F)aniline
PubChem CID24822371
Molecular FormulaC20H25FN2O3
Molecular Weight359.43 g/mol
Exact Mass359.19
IUPAC Name4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methyl(18F)aniline
SMILESCNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])nc2)cc1
InChIInChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+/i21-1
InChIKeyYNDIAUKFXKEXSV-CRYLGTRXSA-N
XLogP3.68
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methyl(18F)aniline 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

4-[(E)-2-[6-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]pyridin-3-yl]ethenyl]-N-methylaniline
CID 57396865
[2-(4-Fluorophenoxy)pyridin-4-yl]methanamine
CID 16794320
2-Phenoxy-3-(piperidin-4-yl)pyridine
CID 44133490
2-(2-Methoxyphenoxy)-3-(piperidin-4-yl)pyridine
CID 44133674
2-(2-Fluorophenoxy)-3-(piperidin-4-yl)pyridine
CID 44133851
2-(Pyridin-3-ylmethoxy)aniline
CID 8027171
nicotinaldehyde O-4-(decyloxy)phenylcarbamoyl oxime
CID 20872720
nicotinaldehyde O-4-(nonyloxy)phenylcarbamoyl oxime
CID 20872725
nicotinaldehyde O-4-(octyloxy)phenylcarbamoyl oxime
CID 20872726
(4-Methoxy-phenyl)-pyridin-3-ylmethyl-amine
CID 742765
2-(Piperidin-4-yloxy)-5-(trifluoromethyl)pyridine
CID 18357169
2-(Benzyloxy)pyridine
CID 295859

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methyl(18F)aniline?
The IUPAC name of 4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methyl(18F)aniline (CID 24822371) is 4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methyl(18F)aniline.
What is the SMILES notation for 4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methyl(18F)aniline?
The canonical SMILES for 4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methyl(18F)aniline is CNc1ccc(/C=C/c2ccc(OCCOCCOCC[18F])nc2)cc1.
What is the InChIKey of 4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methyl(18F)aniline?
The InChIKey is YNDIAUKFXKEXSV-CRYLGTRXSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-22-19-7-4-17(5-8-19)2-3-18-6-9-20(23-16-18)26-15-14-25-13-12-24-11-10-21/h2-9,16,22H,10-15H2,1H3/b3-2+/i21-1.
What are the key properties of 4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methyl(18F)aniline?
4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methyl(18F)aniline has a molecular weight of 359.43 g/mol, XLogP of 3.68, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]-N-methyl(18F)aniline is sourced from PubChem (CID 24822371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).