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

C21H17N7O4S — CID 142435467

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

7-[3-[(5-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142435467) has the molecular formula C21H17N7O4S and a molecular weight of 463.48 g/mol. Its IUPAC name is 7-[3-[(5-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-[(5-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142435467
• Molecular Formula: C21H17N7O4S
• Molecular Weight: 463.48 g/mol
• Exact Mass: 463.11
• IUPAC Name: 7-[3-[(5-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: Cc1ccc(NC(=O)C2CN(c3ccc4c(=O)c(C(=O)O)cn(-c5ncns5)c4n3)C2)nc1
• InChI: InChI=1S/C21H17N7O4S/c1-11-2-4-15(22-6-11)25-19(30)12-7-27(8-12)16-5-3-13-17(29)14(20(31)32)9-28(18(13)26-16)21-23-10-24-33-21/h2-6,9-10,12H,7-8H2,1H3,(H,31,32)(H,22,25,30)
• InChIKey: GQBNFQLUOJIVLK-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 143.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.48
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 7-[3-[(5-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142435467) is 7-[3-[(5-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

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

The canonical SMILES for 7-[3-[(5-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1ccc(NC(=O)C2CN(c3ccc4c(=O)c(C(=O)O)cn(-c5ncns5)c4n3)C2)nc1.

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

The InChIKey is GQBNFQLUOJIVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O4S/c1-11-2-4-15(22-6-11)25-19(30)12-7-27(8-12)16-5-3-13-17(29)14(20(31)32)9-28(18(13)26-16)21-23-10-24-33-21/h2-6,9-10,12H,7-8H2,1H3,(H,31,32)(H,22,25,30).

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

7-[3-[(5-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 463.48 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[(5-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142435467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).