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

C24H23N7O5S — CID 159654407

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

7-[3-[2-[5-(dimethylamino)-2-pyridinyl]acetyl]-3-hydroxyazetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 159654407) has the molecular formula C24H23N7O5S and a molecular weight of 521.56 g/mol. Its IUPAC name is 7-[3-[2-[5-(dimethylamino)-2-pyridinyl]acetyl]-3-hydroxyazetidin-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-[2-[5-(dimethylamino)-2-pyridinyl]acetyl]-3-hydroxyazetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 159654407
• Molecular Formula: C24H23N7O5S
• Molecular Weight: 521.56 g/mol
• Exact Mass: 521.15
• IUPAC Name: 7-[3-[2-[5-(dimethylamino)-2-pyridinyl]acetyl]-3-hydroxyazetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: Cc1cc(N2CC(O)(C(=O)Cc3ccc(N(C)C)cn3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1
• InChI: InChI=1S/C24H23N7O5S/c1-13-6-18(28-21-19(13)20(33)16(22(34)35)9-31(21)23-26-12-27-37-23)30-10-24(36,11-30)17(32)7-14-4-5-15(8-25-14)29(2)3/h4-6,8-9,12,36H,7,10-11H2,1-3H3,(H,34,35)
• InChIKey: MRZMBGVSJBEIKS-UHFFFAOYSA-N
• XLogP: 1.07
• TPSA: 154.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.56
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-[5-(dimethylamino)-2-pyridinyl]acetyl]-3-hydroxyazetidin-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-[2-[5-(dimethylamino)-2-pyridinyl]acetyl]-3-hydroxyazetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 159654407) is 7-[3-[2-[5-(dimethylamino)-2-pyridinyl]acetyl]-3-hydroxyazetidin-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-[2-[5-(dimethylamino)-2-pyridinyl]acetyl]-3-hydroxyazetidin-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-[2-[5-(dimethylamino)-2-pyridinyl]acetyl]-3-hydroxyazetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cc(N2CC(O)(C(=O)Cc3ccc(N(C)C)cn3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1ncns1.

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

The InChIKey is MRZMBGVSJBEIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O5S/c1-13-6-18(28-21-19(13)20(33)16(22(34)35)9-31(21)23-26-12-27-37-23)30-10-24(36,11-30)17(32)7-14-4-5-15(8-25-14)29(2)3/h4-6,8-9,12,36H,7,10-11H2,1-3H3,(H,34,35).

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

7-[3-[2-[5-(dimethylamino)-2-pyridinyl]acetyl]-3-hydroxyazetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 521.56 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[2-[5-(dimethylamino)-2-pyridinyl]acetyl]-3-hydroxyazetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 159654407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).