2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]acetamide

C21H20N4O5 — CID 60513427

About 2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]acetamide

2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]acetamide (PubChem CID 60513427) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is 2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]acetamide
• PubChem CID: 60513427
• Molecular Formula: C21H20N4O5
• Molecular Weight: 408.41 g/mol
• Exact Mass: 408.14
• IUPAC Name: 2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]acetamide
• SMILES: CC(NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1cccc(OCc2ccccn2)c1
• InChI: InChI=1S/C21H20N4O5/c1-15(23-20(26)13-24-12-18(25(28)29)8-9-21(24)27)16-5-4-7-19(11-16)30-14-17-6-2-3-10-22-17/h2-12,15H,13-14H2,1H3,(H,23,26)
• InChIKey: QVEHOZRJVBVACF-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 116.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.41
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]acetamide?

The IUPAC name of 2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]acetamide (CID 60513427) is 2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]acetamide.

What is the SMILES notation for 2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]acetamide?

The canonical SMILES for 2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]acetamide is CC(NC(=O)Cn1cc([N+](=O)[O-])ccc1=O)c1cccc(OCc2ccccn2)c1.

What is the InChIKey of 2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]acetamide?

The InChIKey is QVEHOZRJVBVACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O5/c1-15(23-20(26)13-24-12-18(25(28)29)8-9-21(24)27)16-5-4-7-19(11-16)30-14-17-6-2-3-10-22-17/h2-12,15H,13-14H2,1H3,(H,23,26).

What are the key properties of 2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]acetamide?

2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]acetamide has a molecular weight of 408.41 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-nitro-2-oxo-1-pyridinyl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 60513427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).