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

C23H27N5O5S — CID 142434679

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

7-[3-(1-ethoxybutan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434679) has the molecular formula C23H27N5O5S and a molecular weight of 485.57 g/mol. Its IUPAC name is 7-[3-(1-ethoxybutan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-(1-ethoxybutan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142434679
• Molecular Formula: C23H27N5O5S
• Molecular Weight: 485.57 g/mol
• Exact Mass: 485.17
• IUPAC Name: 7-[3-(1-ethoxybutan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: CCOCC(CC)NC(=O)C1CN(c2cc(C)c3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1
• InChI: InChI=1S/C23H27N5O5S/c1-4-15(12-33-5-2)25-21(30)14-9-27(10-14)17-8-13(3)18-19(29)16(22(31)32)11-28(20(18)26-17)23-24-6-7-34-23/h6-8,11,14-15H,4-5,9-10,12H2,1-3H3,(H,25,30)(H,31,32)
• InChIKey: GSQADPPYRSUDBY-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 126.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.57
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 7-[3-(1-ethoxybutan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434679) is 7-[3-(1-ethoxybutan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

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

The canonical SMILES for 7-[3-(1-ethoxybutan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is CCOCC(CC)NC(=O)C1CN(c2cc(C)c3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1.

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

The InChIKey is GSQADPPYRSUDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O5S/c1-4-15(12-33-5-2)25-21(30)14-9-27(10-14)17-8-13(3)18-19(29)16(22(31)32)11-28(20(18)26-17)23-24-6-7-34-23/h6-8,11,14-15H,4-5,9-10,12H2,1-3H3,(H,25,30)(H,31,32).

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

7-[3-(1-ethoxybutan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 485.57 g/mol, XLogP of 2.22, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(1-ethoxybutan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).