7-[3-(2-ethoxyethylcarbamoyl)azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

C21H22FN5O5S — CID 142435722

About 7-[3-(2-ethoxyethylcarbamoyl)azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

7-[3-(2-ethoxyethylcarbamoyl)azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142435722) has the molecular formula C21H22FN5O5S and a molecular weight of 475.50 g/mol. Its IUPAC name is 7-[3-(2-ethoxyethylcarbamoyl)azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-(2-ethoxyethylcarbamoyl)azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142435722
• Molecular Formula: C21H22FN5O5S
• Molecular Weight: 475.50 g/mol
• Exact Mass: 475.13
• IUPAC Name: 7-[3-(2-ethoxyethylcarbamoyl)azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: CCOCCNC(=O)C1CN(c2nc3c(c(C)c2F)c(=O)c(C(=O)O)cn3-c2nccs2)C1
• InChI: InChI=1S/C21H22FN5O5S/c1-3-32-6-4-23-19(29)12-8-26(9-12)18-15(22)11(2)14-16(28)13(20(30)31)10-27(17(14)25-18)21-24-5-7-33-21/h5,7,10,12H,3-4,6,8-9H2,1-2H3,(H,23,29)(H,30,31)
• InChIKey: INRVNKIHYNRWIL-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 126.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.50
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-ethoxyethylcarbamoyl)azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?

The IUPAC name of 7-[3-(2-ethoxyethylcarbamoyl)azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142435722) is 7-[3-(2-ethoxyethylcarbamoyl)azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

What is the SMILES notation for 7-[3-(2-ethoxyethylcarbamoyl)azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?

The canonical SMILES for 7-[3-(2-ethoxyethylcarbamoyl)azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is CCOCCNC(=O)C1CN(c2nc3c(c(C)c2F)c(=O)c(C(=O)O)cn3-c2nccs2)C1.

What is the InChIKey of 7-[3-(2-ethoxyethylcarbamoyl)azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is INRVNKIHYNRWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O5S/c1-3-32-6-4-23-19(29)12-8-26(9-12)18-15(22)11(2)14-16(28)13(20(30)31)10-27(17(14)25-18)21-24-5-7-33-21/h5,7,10,12H,3-4,6,8-9H2,1-2H3,(H,23,29)(H,30,31).

What are the key properties of 7-[3-(2-ethoxyethylcarbamoyl)azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?

7-[3-(2-ethoxyethylcarbamoyl)azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 475.50 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(2-ethoxyethylcarbamoyl)azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142435722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).