Ly93

C₂₁H₂₀N₂O₂ — CID 118911741

About Ly93

Ly93 (PubChem CID 118911741) has the molecular formula C₂₁H₂₀N₂O₂ and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[(2-ethylphenyl)methoxy]-N-pyridin-3-ylbenzamide.

Molecular Properties

• Compound Name: Ly93
• PubChem CID: 118911741
• Molecular Formula: C₂₁H₂₀N₂O₂
• Molecular Weight: 332.40 g/mol
• Exact Mass: 332.15
• IUPAC Name: 2-[(2-ethylphenyl)methoxy]-N-pyridin-3-ylbenzamide
• SMILES: CCc1ccccc1COc1ccccc1C(=O)Nc1cccnc1
• InChI: InChI=1S/C21H20N2O2/c1-2-16-8-3-4-9-17(16)15-25-20-12-6-5-11-19(20)21(24)23-18-10-7-13-22-14-18/h3-14H,2,15H2,1H3,(H,23,24)
• InChIKey: YRUSTWBJNUPPQI-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.40
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Ly93?

The IUPAC name of Ly93 (CID 118911741) is 2-[(2-ethylphenyl)methoxy]-N-pyridin-3-ylbenzamide.

What is the SMILES notation for Ly93?

The canonical SMILES for Ly93 is CCc1ccccc1COc1ccccc1C(=O)Nc1cccnc1.

What is the InChIKey of Ly93?

The InChIKey is YRUSTWBJNUPPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-2-16-8-3-4-9-17(16)15-25-20-12-6-5-11-19(20)21(24)23-18-10-7-13-22-14-18/h3-14H,2,15H2,1H3,(H,23,24).

What are the key properties of Ly93?

Ly93 has a molecular weight of 332.40 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Ly93 is sourced from PubChem (CID 118911741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118911741 — identifiers, structure, computed properties (public domain)

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