7-[[2-(diethylcarbamoyl)-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide

C25H29FN4O5 — CID 54679164

About 7-[[2-(diethylcarbamoyl)-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide

7-[[2-(diethylcarbamoyl)-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 54679164) has the molecular formula C25H29FN4O5 and a molecular weight of 484.53 g/mol. Its IUPAC name is 7-[[2-(diethylcarbamoyl)-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[[2-(diethylcarbamoyl)-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
• PubChem CID: 54679164
• Molecular Formula: C25H29FN4O5
• Molecular Weight: 484.53 g/mol
• Exact Mass: 484.21
• IUPAC Name: 7-[[2-(diethylcarbamoyl)-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
• SMILES: CCN(CC)C(=O)c1cc(F)ccc1Cc1cnc2c(O)c(C(=O)NCCOC)c(=O)n(C)c2c1
• InChI: InChI=1S/C25H29FN4O5/c1-5-30(6-2)24(33)18-13-17(26)8-7-16(18)11-15-12-19-21(28-14-15)22(31)20(25(34)29(19)3)23(32)27-9-10-35-4/h7-8,12-14,31H,5-6,9-11H2,1-4H3,(H,27,32)
• InChIKey: SBRTZXHGERUJKM-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 113.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.53
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[[2-(diethylcarbamoyl)-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?

The IUPAC name of 7-[[2-(diethylcarbamoyl)-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide (CID 54679164) is 7-[[2-(diethylcarbamoyl)-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide.

What is the SMILES notation for 7-[[2-(diethylcarbamoyl)-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?

The canonical SMILES for 7-[[2-(diethylcarbamoyl)-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is CCN(CC)C(=O)c1cc(F)ccc1Cc1cnc2c(O)c(C(=O)NCCOC)c(=O)n(C)c2c1.

What is the InChIKey of 7-[[2-(diethylcarbamoyl)-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?

The InChIKey is SBRTZXHGERUJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O5/c1-5-30(6-2)24(33)18-13-17(26)8-7-16(18)11-15-12-19-21(28-14-15)22(31)20(25(34)29(19)3)23(32)27-9-10-35-4/h7-8,12-14,31H,5-6,9-11H2,1-4H3,(H,27,32).

What are the key properties of 7-[[2-(diethylcarbamoyl)-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide?

7-[[2-(diethylcarbamoyl)-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 484.53 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[2-(diethylcarbamoyl)-4-fluorophenyl]methyl]-4-hydroxy-N-(2-methoxyethyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54679164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).