N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide

C₁₆H₁₇N₃O₂ — CID 2174265

About N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide

N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide (PubChem CID 2174265) has the molecular formula C₁₆H₁₇N₃O₂ and a molecular weight of 283.33 g/mol. Its IUPAC name is N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide.

Molecular Properties

• Compound Name: N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
• PubChem CID: 2174265
• Molecular Formula: C₁₆H₁₇N₃O₂
• Molecular Weight: 283.33 g/mol
• Exact Mass: 283.13
• IUPAC Name: N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide
• SMILES: CCc1ccc(NC(=O)C(=O)NCc2ccccn2)cc1
• InChI: InChI=1S/C16H17N3O2/c1-2-12-6-8-13(9-7-12)19-16(21)15(20)18-11-14-5-3-4-10-17-14/h3-10H,2,11H2,1H3,(H,18,20)(H,19,21)
• InChIKey: WEVYSDHOAPFATC-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 71.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	283.33
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide?

The IUPAC name of N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide (CID 2174265) is N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide.

What is the SMILES notation for N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide?

The canonical SMILES for N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide is CCc1ccc(NC(=O)C(=O)NCc2ccccn2)cc1.

What is the InChIKey of N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide?

The InChIKey is WEVYSDHOAPFATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-12-6-8-13(9-7-12)19-16(21)15(20)18-11-14-5-3-4-10-17-14/h3-10H,2,11H2,1H3,(H,18,20)(H,19,21).

What are the key properties of N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide?

N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide has a molecular weight of 283.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N'-(4-ethylphenyl)-N-(pyridin-2-ylmethyl)oxamide is sourced from PubChem (CID 2174265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2174265 — identifiers, structure, computed properties (public domain)

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