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

C24H27FN4O5 — CID 69481067

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

1-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69481067) has the molecular formula C24H27FN4O5 and a molecular weight of 470.50 g/mol. Its IUPAC name is 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
• PubChem CID: 69481067
• Molecular Formula: C24H27FN4O5
• Molecular Weight: 470.50 g/mol
• Exact Mass: 470.20
• IUPAC Name: 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
• SMILES: CCN(C)C(=O)Cn1c(=O)c(C(=O)NCCOC)c(O)c2ncc(Cc3ccc(F)cc3)cc21
• InChI: InChI=1S/C24H27FN4O5/c1-4-28(2)19(30)14-29-18-12-16(11-15-5-7-17(25)8-6-15)13-27-21(18)22(31)20(24(29)33)23(32)26-9-10-34-3/h5-8,12-13,31H,4,9-11,14H2,1-3H3,(H,26,32)
• InChIKey: NKPZIQZMGZCGCD-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 113.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.50
LogP ≤ 5	1.69
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 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?

The IUPAC name of 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69481067) is 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.

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

The canonical SMILES for 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is CCN(C)C(=O)Cn1c(=O)c(C(=O)NCCOC)c(O)c2ncc(Cc3ccc(F)cc3)cc21.

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

The InChIKey is NKPZIQZMGZCGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O5/c1-4-28(2)19(30)14-29-18-12-16(11-15-5-7-17(25)8-6-15)13-27-21(18)22(31)20(24(29)33)23(32)26-9-10-34-3/h5-8,12-13,31H,4,9-11,14H2,1-3H3,(H,26,32).

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

1-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 470.50 g/mol, XLogP of 1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[ethyl(methyl)amino]-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69481067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).