7-(3-carboxyazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

C17H14N4O5S — CID 142435198

IUPAC7-(3-carboxyazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(N2CC(C(=O)O)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1
InChIInChI=1S/C17H14N4O5S/c1-8-4-11(20-5-9(6-20)15(23)24)19-14-12(8)13(22)10(16(25)26)7-21(14)17-18-2-3-27-17/h2-4,7,9H,5-6H2,1H3,(H,23,24)(H,25,26)
InChIKeyFUSRUSSFIDWPQK-UHFFFAOYSA-N
MW386.39 g/mol
LogP1.37
Rot. Bonds4

About 7-(3-carboxyazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

7-(3-carboxyazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142435198) has the molecular formula C17H14N4O5S and a molecular weight of 386.39 g/mol. Its IUPAC name is 7-(3-carboxyazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(3-carboxyazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142435198
Molecular FormulaC17H14N4O5S
Molecular Weight386.39 g/mol
Exact Mass386.07
IUPAC Name7-(3-carboxyazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(N2CC(C(=O)O)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1
InChIInChI=1S/C17H14N4O5S/c1-8-4-11(20-5-9(6-20)15(23)24)19-14-12(8)13(22)10(16(25)26)7-21(14)17-18-2-3-27-17/h2-4,7,9H,5-6H2,1H3,(H,23,24)(H,25,26)
InChIKeyFUSRUSSFIDWPQK-UHFFFAOYSA-N
XLogP1.37
TPSA125.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

7-[3-(2-hydroxyacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 158713347
7-(3-aminoazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434637
7-[3-[(4,6-dimethylpyrimidin-2-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434905
7-[3-(cyclohexylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435231
5-methyl-7-[3-[(6-methyl-2-pyridinyl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434694
7-[3-[butanoyl(methyl)amino]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435395
7-[3-[4-(hydroxymethyl)pyrazol-1-yl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435626
7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434989
7-[3-(1-ethoxybutan-2-ylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434679
5-methyl-4-oxo-7-[3-(pyridin-2-ylcarbamoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434816
7-[3-[[ethyl-(2-hydroxy-2-methylpropyl)amino]methyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 146414321
5-methyl-N,4-dioxo-7-[3-(propanoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxamide
CID 146345412

Frequently Asked Questions

What is the IUPAC name of 7-(3-carboxyazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-(3-carboxyazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142435198) is 7-(3-carboxyazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-(3-carboxyazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-(3-carboxyazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cc(N2CC(C(=O)O)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1.
What is the InChIKey of 7-(3-carboxyazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is FUSRUSSFIDWPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O5S/c1-8-4-11(20-5-9(6-20)15(23)24)19-14-12(8)13(22)10(16(25)26)7-21(14)17-18-2-3-27-17/h2-4,7,9H,5-6H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 7-(3-carboxyazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
7-(3-carboxyazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 386.39 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-carboxyazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142435198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).