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

C20H19N7O3S — CID 142435583

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

5-methyl-4-oxo-7-[3-(pyridin-3-ylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142435583) has the molecular formula C20H19N7O3S and a molecular weight of 437.49 g/mol. Its IUPAC name is 5-methyl-4-oxo-7-[3-(pyridin-3-ylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-methyl-4-oxo-7-[3-(pyridin-3-ylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142435583
• Molecular Formula: C20H19N7O3S
• Molecular Weight: 437.49 g/mol
• Exact Mass: 437.13
• IUPAC Name: 5-methyl-4-oxo-7-[3-(pyridin-3-ylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid
• SMILES: Cc1cc(N2CC(Nc3cccnc3)C2)nc2c1C(=O)C(C(=O)O)CN2c1ncns1
• InChI: InChI=1S/C20H19N7O3S/c1-11-5-15(26-7-13(8-26)24-12-3-2-4-21-6-12)25-18-16(11)17(28)14(19(29)30)9-27(18)20-22-10-23-31-20/h2-6,10,13-14,24H,7-9H2,1H3,(H,29,30)
• InChIKey: FGAIKOZNTYVINP-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 124.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.49
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 5-methyl-4-oxo-7-[3-(pyridin-3-ylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid (CID 142435583) is 5-methyl-4-oxo-7-[3-(pyridin-3-ylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid.

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

The canonical SMILES for 5-methyl-4-oxo-7-[3-(pyridin-3-ylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid is Cc1cc(N2CC(Nc3cccnc3)C2)nc2c1C(=O)C(C(=O)O)CN2c1ncns1.

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

The InChIKey is FGAIKOZNTYVINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O3S/c1-11-5-15(26-7-13(8-26)24-12-3-2-4-21-6-12)25-18-16(11)17(28)14(19(29)30)9-27(18)20-22-10-23-31-20/h2-6,10,13-14,24H,7-9H2,1H3,(H,29,30).

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

5-methyl-4-oxo-7-[3-(pyridin-3-ylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 437.49 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-4-oxo-7-[3-(pyridin-3-ylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142435583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).