6-bromo-N-[(4-chlorophenyl)methyl]-8-ethoxy-4-oxo-1,7-naphthyridin-1-ide-3-carboxamide;yttrium(3+)

C18H14BrClN3O3Y+2 — CID 20794326

About 6-bromo-N-[(4-chlorophenyl)methyl]-8-ethoxy-4-oxo-1,7-naphthyridin-1-ide-3-carboxamide;yttrium(3+)

6-bromo-N-[(4-chlorophenyl)methyl]-8-ethoxy-4-oxo-1,7-naphthyridin-1-ide-3-carboxamide;yttrium(3+) (PubChem CID 20794326) has the molecular formula C18H14BrClN3O3Y+2 and a molecular weight of 524.59 g/mol. Its IUPAC name is 6-bromo-N-[(4-chlorophenyl)methyl]-8-ethoxy-4-oxo-1,7-naphthyridin-1-ide-3-carboxamide;yttrium(3+).

Molecular Properties

• Compound Name: 6-bromo-N-[(4-chlorophenyl)methyl]-8-ethoxy-4-oxo-1,7-naphthyridin-1-ide-3-carboxamide;yttrium(3+)
• PubChem CID: 20794326
• Molecular Formula: C18H14BrClN3O3Y+2
• Molecular Weight: 524.59 g/mol
• Exact Mass: 522.90
• IUPAC Name: 6-bromo-N-[(4-chlorophenyl)methyl]-8-ethoxy-4-oxo-1,7-naphthyridin-1-ide-3-carboxamide;yttrium(3+)
• SMILES: CCOc1nc(Br)cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)c[n-]c12.[Y+3]
• InChI: InChI=1S/C18H15BrClN3O3.Y/c1-2-26-18-15-12(7-14(19)23-18)16(24)13(9-21-15)17(25)22-8-10-3-5-11(20)6-4-10;/h3-7,9H,2,8H2,1H3,(H2,21,22,24,25);/q;+3/p-1
• InChIKey: NCKJCJNBPFVAKP-UHFFFAOYSA-M
• XLogP: 3.29
• TPSA: 82.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.59
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-chlorophenyl)methyl]-8-ethoxy-4-oxo-1,7-naphthyridin-1-ide-3-carboxamide;yttrium(3+)?

The IUPAC name of 6-bromo-N-[(4-chlorophenyl)methyl]-8-ethoxy-4-oxo-1,7-naphthyridin-1-ide-3-carboxamide;yttrium(3+) (CID 20794326) is 6-bromo-N-[(4-chlorophenyl)methyl]-8-ethoxy-4-oxo-1,7-naphthyridin-1-ide-3-carboxamide;yttrium(3+).

What is the SMILES notation for 6-bromo-N-[(4-chlorophenyl)methyl]-8-ethoxy-4-oxo-1,7-naphthyridin-1-ide-3-carboxamide;yttrium(3+)?

The canonical SMILES for 6-bromo-N-[(4-chlorophenyl)methyl]-8-ethoxy-4-oxo-1,7-naphthyridin-1-ide-3-carboxamide;yttrium(3+) is CCOc1nc(Br)cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)c[n-]c12.[Y+3].

What is the InChIKey of 6-bromo-N-[(4-chlorophenyl)methyl]-8-ethoxy-4-oxo-1,7-naphthyridin-1-ide-3-carboxamide;yttrium(3+)?

The InChIKey is NCKJCJNBPFVAKP-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15BrClN3O3.Y/c1-2-26-18-15-12(7-14(19)23-18)16(24)13(9-21-15)17(25)22-8-10-3-5-11(20)6-4-10;/h3-7,9H,2,8H2,1H3,(H2,21,22,24,25);/q;+3/p-1.

What are the key properties of 6-bromo-N-[(4-chlorophenyl)methyl]-8-ethoxy-4-oxo-1,7-naphthyridin-1-ide-3-carboxamide;yttrium(3+)?

6-bromo-N-[(4-chlorophenyl)methyl]-8-ethoxy-4-oxo-1,7-naphthyridin-1-ide-3-carboxamide;yttrium(3+) has a molecular weight of 524.59 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-[(4-chlorophenyl)methyl]-8-ethoxy-4-oxo-1,7-naphthyridin-1-ide-3-carboxamide;yttrium(3+) is sourced from PubChem (CID 20794326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).