7-[3-(ethoxyamino)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

C17H16FN5O4S — CID 142434459

IUPAC7-[3-(ethoxyamino)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCCONC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2nccs2)C1
InChIInChI=1S/C17H16FN5O4S/c1-2-27-21-9-6-22(7-9)15-12(18)5-10-13(24)11(16(25)26)8-23(14(10)20-15)17-19-3-4-28-17/h3-5,8-9,21H,2,6-7H2,1H3,(H,25,26)
InChIKeyJHTVWHFMMIRTPG-UHFFFAOYSA-N
MW405.41 g/mol
LogP1.41
Rot. Bonds6

About 7-[3-(ethoxyamino)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid

7-[3-(ethoxyamino)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434459) has the molecular formula C17H16FN5O4S and a molecular weight of 405.41 g/mol. Its IUPAC name is 7-[3-(ethoxyamino)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[3-(ethoxyamino)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142434459
Molecular FormulaC17H16FN5O4S
Molecular Weight405.41 g/mol
Exact Mass405.09
IUPAC Name7-[3-(ethoxyamino)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESCCONC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2nccs2)C1
InChIInChI=1S/C17H16FN5O4S/c1-2-27-21-9-6-22(7-9)15-12(18)5-10-13(24)11(16(25)26)8-23(14(10)20-15)17-19-3-4-28-17/h3-5,8-9,21H,2,6-7H2,1H3,(H,25,26)
InChIKeyJHTVWHFMMIRTPG-UHFFFAOYSA-N
XLogP1.41
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-[3-(dimethylaminooxy)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435116
6-fluoro-4-oxo-7-[3-(prop-2-ynylcarbamoyl)azetidin-1-yl]-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434794
7-[(3R,4S)-3-amino-4-methylpyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid;hydrochloride
CID 45262555
6-fluoro-7-[3-(5-methoxypentanoyl)azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 157142777
6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-7-[3-(2,2,2-trifluoroethylcarbamoyl)azetidin-1-yl]-1,8-naphthyridine-3-carboxylic acid
CID 142434742
7-[3-[2-[1-(ethoxymethyl)cyclopropyl]acetyl]azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 147221876
6-fluoro-7-[3-[2-(5-methoxy-2-pyridinyl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 159104114
ethyl 7-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylate
CID 10972101
6-fluoro-7-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142435526
6-fluoro-7-[3-[2-(2-methyl-1,2,4-triazol-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 160809221
6-fluoro-7-[3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 142434698
6-fluoro-7-[3-[2-(5-methyl-1-propylpyrazol-3-yl)acetyl]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid
CID 160506628

Frequently Asked Questions

What is the IUPAC name of 7-[3-(ethoxyamino)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[3-(ethoxyamino)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434459) is 7-[3-(ethoxyamino)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[3-(ethoxyamino)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[3-(ethoxyamino)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is CCONC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2nccs2)C1.
What is the InChIKey of 7-[3-(ethoxyamino)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is JHTVWHFMMIRTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O4S/c1-2-27-21-9-6-22(7-9)15-12(18)5-10-13(24)11(16(25)26)8-23(14(10)20-15)17-19-3-4-28-17/h3-5,8-9,21H,2,6-7H2,1H3,(H,25,26).
What are the key properties of 7-[3-(ethoxyamino)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid?
7-[3-(ethoxyamino)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 405.41 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(ethoxyamino)azetidin-1-yl]-6-fluoro-4-oxo-1-(1,3-thiazol-2-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).