N-(1-hydroxy-2-oxo-1,8-naphthyridin-3-yl)formamide

C₉H₇N₃O₃ — CID 174791861

About N-(1-hydroxy-2-oxo-1,8-naphthyridin-3-yl)formamide

N-(1-hydroxy-2-oxo-1,8-naphthyridin-3-yl)formamide (PubChem CID 174791861) has the molecular formula C₉H₇N₃O₃ and a molecular weight of 205.17 g/mol. Its IUPAC name is N-(1-hydroxy-2-oxo-1,8-naphthyridin-3-yl)formamide.

Molecular Properties

• Compound Name: N-(1-hydroxy-2-oxo-1,8-naphthyridin-3-yl)formamide
• PubChem CID: 174791861
• Molecular Formula: C₉H₇N₃O₃
• Molecular Weight: 205.17 g/mol
• Exact Mass: 205.05
• IUPAC Name: N-(1-hydroxy-2-oxo-1,8-naphthyridin-3-yl)formamide
• SMILES: O=CNc1cc2cccnc2n(O)c1=O
• InChI: InChI=1S/C9H7N3O3/c13-5-11-7-4-6-2-1-3-10-8(6)12(15)9(7)14/h1-5,15H,(H,11,13)
• InChIKey: YRNYPWURTFYIML-UHFFFAOYSA-N
• XLogP: 0.20
• TPSA: 84.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	205.17
LogP ≤ 5	0.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-oxo-1,8-naphthyridin-3-yl)formamide?

The IUPAC name of N-(1-hydroxy-2-oxo-1,8-naphthyridin-3-yl)formamide (CID 174791861) is N-(1-hydroxy-2-oxo-1,8-naphthyridin-3-yl)formamide.

What is the SMILES notation for N-(1-hydroxy-2-oxo-1,8-naphthyridin-3-yl)formamide?

The canonical SMILES for N-(1-hydroxy-2-oxo-1,8-naphthyridin-3-yl)formamide is O=CNc1cc2cccnc2n(O)c1=O.

What is the InChIKey of N-(1-hydroxy-2-oxo-1,8-naphthyridin-3-yl)formamide?

The InChIKey is YRNYPWURTFYIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c13-5-11-7-4-6-2-1-3-10-8(6)12(15)9(7)14/h1-5,15H,(H,11,13).

What are the key properties of N-(1-hydroxy-2-oxo-1,8-naphthyridin-3-yl)formamide?

N-(1-hydroxy-2-oxo-1,8-naphthyridin-3-yl)formamide has a molecular weight of 205.17 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-hydroxy-2-oxo-1,8-naphthyridin-3-yl)formamide is sourced from PubChem (CID 174791861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 174791861 — identifiers, structure, computed properties (public domain)

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