1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-8-methyl-2-oxo-1,5-naphthyridine-3-carboxamide

C29H25FN4O6 — CID 91501347

About 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-8-methyl-2-oxo-1,5-naphthyridine-3-carboxamide

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-8-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 91501347) has the molecular formula C29H25FN4O6 and a molecular weight of 544.54 g/mol. Its IUPAC name is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-8-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-8-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
• PubChem CID: 91501347
• Molecular Formula: C29H25FN4O6
• Molecular Weight: 544.54 g/mol
• Exact Mass: 544.18
• IUPAC Name: 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-8-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
• SMILES: Cc1c(Cc2ccc(F)cc2)cnc2c(O)c(C(=O)NCCO)c(=O)n(CCN3C(=O)c4ccccc4C3=O)c12
• InChI: InChI=1S/C29H25FN4O6/c1-16-18(14-17-6-8-19(30)9-7-17)15-32-23-24(16)33(29(40)22(25(23)36)26(37)31-10-13-35)11-12-34-27(38)20-4-2-3-5-21(20)28(34)39/h2-9,15,35-36H,10-14H2,1H3,(H,31,37)
• InChIKey: HLKHCCBXTSODNS-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 141.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.54
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-8-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?

The IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-8-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 91501347) is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-8-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

What is the SMILES notation for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-8-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?

The canonical SMILES for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-8-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is Cc1c(Cc2ccc(F)cc2)cnc2c(O)c(C(=O)NCCO)c(=O)n(CCN3C(=O)c4ccccc4C3=O)c12.

What is the InChIKey of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-8-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?

The InChIKey is HLKHCCBXTSODNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN4O6/c1-16-18(14-17-6-8-19(30)9-7-17)15-32-23-24(16)33(29(40)22(25(23)36)26(37)31-10-13-35)11-12-34-27(38)20-4-2-3-5-21(20)28(34)39/h2-9,15,35-36H,10-14H2,1H3,(H,31,37).

What are the key properties of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-8-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-8-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 544.54 g/mol, XLogP of 2.16, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-8-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 91501347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).