6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid

C22H19FN6O4S — CID 146345486

IUPAC6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)NC2CN(c3nc4c(cc3F)C(=O)C(C(=O)O)CN4c3nccs3)C2)nc1
InChIInChI=1S/C22H19FN6O4S/c1-11-2-3-16(25-7-11)20(31)26-12-8-28(9-12)19-15(23)6-13-17(30)14(21(32)33)10-29(18(13)27-19)22-24-4-5-34-22/h2-7,12,14H,8-10H2,1H3,(H,26,31)(H,32,33)
InChIKeySCRGMIJSSILMBN-UHFFFAOYSA-N
MW482.50 g/mol
LogP2.03
Rot. Bonds5

About 6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid

6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid (PubChem CID 146345486) has the molecular formula C22H19FN6O4S and a molecular weight of 482.50 g/mol. Its IUPAC name is 6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid
PubChem CID146345486
Molecular FormulaC22H19FN6O4S
Molecular Weight482.50 g/mol
Exact Mass482.12
IUPAC Name6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)NC2CN(c3nc4c(cc3F)C(=O)C(C(=O)O)CN4c3nccs3)C2)nc1
InChIInChI=1S/C22H19FN6O4S/c1-11-2-3-16(25-7-11)20(31)26-12-8-28(9-12)19-15(23)6-13-17(30)14(21(32)33)10-29(18(13)27-19)22-24-4-5-34-22/h2-7,12,14H,8-10H2,1H3,(H,26,31)(H,32,33)
InChIKeySCRGMIJSSILMBN-UHFFFAOYSA-N
XLogP2.03
TPSA128.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.50
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid (CID 146345486) is 6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid is Cc1ccc(C(=O)NC2CN(c3nc4c(cc3F)C(=O)C(C(=O)O)CN4c3nccs3)C2)nc1.
What is the InChIKey of 6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is SCRGMIJSSILMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O4S/c1-11-2-3-16(25-7-11)20(31)26-12-8-28(9-12)19-15(23)6-13-17(30)14(21(32)33)10-29(18(13)27-19)22-24-4-5-34-22/h2-7,12,14H,8-10H2,1H3,(H,26,31)(H,32,33).
What are the key properties of 6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid?
6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 482.50 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-[3-[(5-methylpyridine-2-carbonyl)amino]azetidin-1-yl]-4-oxo-1-(1,3-thiazol-2-yl)-2,3-dihydro-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 146345486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).