7-[3-[[5-(dimethylamino)-2-pyridinyl]carbamoyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

C22H19FN8O4S — CID 142435187

About 7-[3-[[5-(dimethylamino)-2-pyridinyl]carbamoyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid

7-[3-[[5-(dimethylamino)-2-pyridinyl]carbamoyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142435187) has the molecular formula C22H19FN8O4S and a molecular weight of 510.51 g/mol. Its IUPAC name is 7-[3-[[5-(dimethylamino)-2-pyridinyl]carbamoyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 7-[3-[[5-(dimethylamino)-2-pyridinyl]carbamoyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• PubChem CID: 142435187
• Molecular Formula: C22H19FN8O4S
• Molecular Weight: 510.51 g/mol
• Exact Mass: 510.12
• IUPAC Name: 7-[3-[[5-(dimethylamino)-2-pyridinyl]carbamoyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
• SMILES: CN(C)c1ccc(NC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ncns3)C2)nc1
• InChI: InChI=1S/C22H19FN8O4S/c1-29(2)12-3-4-16(24-6-12)27-20(33)11-7-30(8-11)19-15(23)5-13-17(32)14(21(34)35)9-31(18(13)28-19)22-25-10-26-36-22/h3-6,9-11H,7-8H2,1-2H3,(H,34,35)(H,24,27,33)
• InChIKey: FGLLMSDDQKEKBC-UHFFFAOYSA-N
• XLogP: 1.61
• TPSA: 146.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.51
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 7-[3-[[5-(dimethylamino)-2-pyridinyl]carbamoyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142435187) is 7-[3-[[5-(dimethylamino)-2-pyridinyl]carbamoyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

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

The canonical SMILES for 7-[3-[[5-(dimethylamino)-2-pyridinyl]carbamoyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is CN(C)c1ccc(NC(=O)C2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ncns3)C2)nc1.

What is the InChIKey of 7-[3-[[5-(dimethylamino)-2-pyridinyl]carbamoyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?

The InChIKey is FGLLMSDDQKEKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN8O4S/c1-29(2)12-3-4-16(24-6-12)27-20(33)11-7-30(8-11)19-15(23)5-13-17(32)14(21(34)35)9-31(18(13)28-19)22-25-10-26-36-22/h3-6,9-11H,7-8H2,1-2H3,(H,34,35)(H,24,27,33).

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

7-[3-[[5-(dimethylamino)-2-pyridinyl]carbamoyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 510.51 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[[5-(dimethylamino)-2-pyridinyl]carbamoyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142435187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).