Nadoxolol

C₁₄H₁₆N₂O₃ — CID 5360985

About Nadoxolol

Nadoxolol (PubChem CID 5360985) has the molecular formula C₁₄H₁₆N₂O₃ and a molecular weight of 260.29 g/mol. Its IUPAC name is N',3-dihydroxy-4-naphthalen-1-yloxybutanimidamide.

Molecular Properties

• Compound Name: Nadoxolol
• PubChem CID: 5360985
• Molecular Formula: C₁₄H₁₆N₂O₃
• Molecular Weight: 260.29 g/mol
• Exact Mass: 260.12
• IUPAC Name: N',3-dihydroxy-4-naphthalen-1-yloxybutanimidamide
• SMILES: N/C(CC(O)COc1cccc2ccccc12)=N/O
• InChI: InChI=1S/C14H16N2O3/c15-14(16-18)8-11(17)9-19-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,17-18H,8-9H2,(H2,15,16)
• InChIKey: UPZVYDSBLFNMLK-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 88.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	260.29
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Nadoxolol?

The IUPAC name of Nadoxolol (CID 5360985) is N',3-dihydroxy-4-naphthalen-1-yloxybutanimidamide.

What is the SMILES notation for Nadoxolol?

The canonical SMILES for Nadoxolol is N/C(CC(O)COc1cccc2ccccc12)=N/O.

What is the InChIKey of Nadoxolol?

The InChIKey is UPZVYDSBLFNMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c15-14(16-18)8-11(17)9-19-13-7-3-5-10-4-1-2-6-12(10)13/h1-7,11,17-18H,8-9H2,(H2,15,16).

What are the key properties of Nadoxolol?

Nadoxolol has a molecular weight of 260.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Nadoxolol is sourced from PubChem (CID 5360985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5360985 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1866 — approved-drug record (CC BY-SA 4.0)

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