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

C22H19N7O4S — CID 142434816

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

5-methyl-4-oxo-7-[3-(pyridin-2-ylcarbamoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434816) has the molecular formula C22H19N7O4S and a molecular weight of 477.51 g/mol. Its IUPAC name is 5-methyl-4-oxo-7-[3-(pyridin-2-ylcarbamoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-methyl-4-oxo-7-[3-(pyridin-2-ylcarbamoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142434816
• Molecular Formula: C22H19N7O4S
• Molecular Weight: 477.51 g/mol
• Exact Mass: 477.12
• IUPAC Name: 5-methyl-4-oxo-7-[3-(pyridin-2-ylcarbamoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: Cc1cc(N2CC(NC(=O)Nc3ccccn3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1
• InChI: InChI=1S/C22H19N7O4S/c1-12-8-16(28-9-13(10-28)25-21(33)26-15-4-2-3-5-23-15)27-19-17(12)18(30)14(20(31)32)11-29(19)22-24-6-7-34-22/h2-8,11,13H,9-10H2,1H3,(H,31,32)(H2,23,25,26,33)
• InChIKey: KUPNAOMUWRRIEA-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 142.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.51
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 5-methyl-4-oxo-7-[3-(pyridin-2-ylcarbamoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434816) is 5-methyl-4-oxo-7-[3-(pyridin-2-ylcarbamoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

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

The canonical SMILES for 5-methyl-4-oxo-7-[3-(pyridin-2-ylcarbamoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cc(N2CC(NC(=O)Nc3ccccn3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1.

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

The InChIKey is KUPNAOMUWRRIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O4S/c1-12-8-16(28-9-13(10-28)25-21(33)26-15-4-2-3-5-23-15)27-19-17(12)18(30)14(20(31)32)11-29(19)22-24-6-7-34-22/h2-8,11,13H,9-10H2,1H3,(H,31,32)(H2,23,25,26,33).

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

5-methyl-4-oxo-7-[3-(pyridin-2-ylcarbamoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 477.51 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-4-oxo-7-[3-(pyridin-2-ylcarbamoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).