7-[3-(1,2-dihydropyridine-6-carbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

C21H18N6O4S — CID 146345420

About 7-[3-(1,2-dihydropyridine-6-carbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

7-[3-(1,2-dihydropyridine-6-carbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 146345420) has the molecular formula C21H18N6O4S and a molecular weight of 450.48 g/mol. Its IUPAC name is 7-[3-(1,2-dihydropyridine-6-carbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-(1,2-dihydropyridine-6-carbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 146345420
• Molecular Formula: C21H18N6O4S
• Molecular Weight: 450.48 g/mol
• Exact Mass: 450.11
• IUPAC Name: 7-[3-(1,2-dihydropyridine-6-carbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: Cc1cc(N2CC(C(=O)C3=CC=CCN3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1
• InChI: InChI=1S/C21H18N6O4S/c1-11-6-15(26-7-12(8-26)17(28)14-4-2-3-5-22-14)25-19-16(11)18(29)13(20(30)31)9-27(19)21-23-10-24-32-21/h2-4,6,9-10,12,22H,5,7-8H2,1H3,(H,30,31)
• InChIKey: FUCCAUMKPZJQFB-UHFFFAOYSA-N
• XLogP: 1.29
• TPSA: 130.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.48
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 7-[3-(1,2-dihydropyridine-6-carbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 146345420) is 7-[3-(1,2-dihydropyridine-6-carbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

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

The canonical SMILES for 7-[3-(1,2-dihydropyridine-6-carbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cc(N2CC(C(=O)C3=CC=CCN3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1.

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

The InChIKey is FUCCAUMKPZJQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O4S/c1-11-6-15(26-7-12(8-26)17(28)14-4-2-3-5-22-14)25-19-16(11)18(29)13(20(30)31)9-27(19)21-23-10-24-32-21/h2-4,6,9-10,12,22H,5,7-8H2,1H3,(H,30,31).

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

7-[3-(1,2-dihydropyridine-6-carbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 450.48 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(1,2-dihydropyridine-6-carbonyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 146345420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).