7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

C22H19N5O5S — CID 142434989

IUPAC7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(N2CC(C(=O)NCc3ccco3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1
InChIInChI=1S/C22H19N5O5S/c1-12-7-16(26-9-13(10-26)20(29)24-8-14-3-2-5-32-14)25-19-17(12)18(28)15(21(30)31)11-27(19)22-23-4-6-33-22/h2-7,11,13H,8-10H2,1H3,(H,24,29)(H,30,31)
InChIKeyAWYDMKDCWPDUKA-UHFFFAOYSA-N
MW465.49 g/mol
LogP2.19
Rot. Bonds6

About 7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434989) has the molecular formula C22H19N5O5S and a molecular weight of 465.49 g/mol. Its IUPAC name is 7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142434989
Molecular FormulaC22H19N5O5S
Molecular Weight465.49 g/mol
Exact Mass465.11
IUPAC Name7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCc1cc(N2CC(C(=O)NCc3ccco3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1
InChIInChI=1S/C22H19N5O5S/c1-12-7-16(26-9-13(10-26)20(29)24-8-14-3-2-5-32-14)25-19-17(12)18(28)15(21(30)31)11-27(19)22-23-4-6-33-22/h2-7,11,13H,8-10H2,1H3,(H,24,29)(H,30,31)
InChIKeyAWYDMKDCWPDUKA-UHFFFAOYSA-N
XLogP2.19
TPSA130.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 175473857
7-(3-carboxyazetidin-1-yl)-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435198
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-(cyclohexylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435231
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
5-methyl-N,4-dioxo-7-[3-(propanoylamino)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxamide
CID 146345412
7-[3-(2-ethoxyethylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(4-phenyl-1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435682
7-[3-(2-ethoxyethylcarbamoyl)azetidin-1-yl]-6-fluoro-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435722
7-[3-(3-ethoxy-3-oxopropanoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434729
7-[3-[[5-(dimethylamino)-2-pyridinyl]carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435189
7-[3-(2-cyclohexylacetyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 161388635
7-[3-[(1,5-dimethylpyrazol-3-yl)carbamoyl]azetidin-1-yl]-5-methyl-4-oxo-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435438

Frequently Asked Questions

What is the IUPAC name of 7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 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) is 7-[3-(furan-2-ylmethylcarbamoyl)azetidin-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-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is Cc1cc(N2CC(C(=O)NCc3ccco3)C2)nc2c1c(=O)c(C(=O)O)cn2-c1nccs1.
What is the InChIKey of 7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is AWYDMKDCWPDUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O5S/c1-12-7-16(26-9-13(10-26)20(29)24-8-14-3-2-5-32-14)25-19-17(12)18(28)15(21(30)31)11-27(19)22-23-4-6-33-22/h2-7,11,13H,8-10H2,1H3,(H,24,29)(H,30,31).
What are the key properties of 7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 465.49 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(furan-2-ylmethylcarbamoyl)azetidin-1-yl]-5-methyl-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).