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

C20H14FN7O4S — CID 142434804

IUPAC6-fluoro-4-oxo-7-[3-(pyridine-2-carbonylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(NC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ncns2)C1)c1ccccn1
InChIInChI=1S/C20H14FN7O4S/c21-13-5-11-15(29)12(19(31)32)8-28(20-23-9-24-33-20)16(11)26-17(13)27-6-10(7-27)25-18(30)14-3-1-2-4-22-14/h1-5,8-10H,6-7H2,(H,25,30)(H,31,32)
InChIKeyHQYIVGOSMUNMKR-UHFFFAOYSA-N
MW467.44 g/mol
LogP1.09
Rot. Bonds5

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

6-fluoro-4-oxo-7-[3-(pyridine-2-carbonylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (PubChem CID 142434804) has the molecular formula C20H14FN7O4S and a molecular weight of 467.44 g/mol. Its IUPAC name is 6-fluoro-4-oxo-7-[3-(pyridine-2-carbonylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-4-oxo-7-[3-(pyridine-2-carbonylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
PubChem CID142434804
Molecular FormulaC20H14FN7O4S
Molecular Weight467.44 g/mol
Exact Mass467.08
IUPAC Name6-fluoro-4-oxo-7-[3-(pyridine-2-carbonylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid
SMILESO=C(NC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ncns2)C1)c1ccccn1
InChIInChI=1S/C20H14FN7O4S/c21-13-5-11-15(29)12(19(31)32)8-28(20-23-9-24-33-20)16(11)26-17(13)27-6-10(7-27)25-18(30)14-3-1-2-4-22-14/h1-5,8-10H,6-7H2,(H,25,30)(H,31,32)
InChIKeyHQYIVGOSMUNMKR-UHFFFAOYSA-N
XLogP1.09
TPSA143.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.44
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-oxo-7-[3-(pyridine-2-carbonylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-4-oxo-7-[3-(pyridine-2-carbonylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid (CID 142434804) is 6-fluoro-4-oxo-7-[3-(pyridine-2-carbonylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-4-oxo-7-[3-(pyridine-2-carbonylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-4-oxo-7-[3-(pyridine-2-carbonylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is O=C(NC1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ncns2)C1)c1ccccn1.
What is the InChIKey of 6-fluoro-4-oxo-7-[3-(pyridine-2-carbonylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is HQYIVGOSMUNMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN7O4S/c21-13-5-11-15(29)12(19(31)32)8-28(20-23-9-24-33-20)16(11)26-17(13)27-6-10(7-27)25-18(30)14-3-1-2-4-22-14/h1-5,8-10H,6-7H2,(H,25,30)(H,31,32).
What are the key properties of 6-fluoro-4-oxo-7-[3-(pyridine-2-carbonylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-4-oxo-7-[3-(pyridine-2-carbonylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 467.44 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-oxo-7-[3-(pyridine-2-carbonylamino)azetidin-1-yl]-1-(1,2,4-thiadiazol-5-yl)-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 142434804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).