6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)methyl]azetidin-3-yl]oxypyridine-2-carboxamide

C19H18F2N4O3S — CID 178131821

IUPAC6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)methyl]azetidin-3-yl]oxypyridine-2-carboxamide
SMILESCC1Sc2ccc(CN3CC(Oc4ccc(C(N)=O)nc4F)C3)c(F)c2NC1=O
InChIInChI=1S/C19H18F2N4O3S/c1-9-19(27)24-16-14(29-9)5-2-10(15(16)20)6-25-7-11(8-25)28-13-4-3-12(18(22)26)23-17(13)21/h2-5,9,11H,6-8H2,1H3,(H2,22,26)(H,24,27)
InChIKeyRTVFMOHIVZKQGB-UHFFFAOYSA-N
MW420.44 g/mol
LogP2.15
Rot. Bonds5

About 6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)methyl]azetidin-3-yl]oxypyridine-2-carboxamide

6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)methyl]azetidin-3-yl]oxypyridine-2-carboxamide (PubChem CID 178131821) has the molecular formula C19H18F2N4O3S and a molecular weight of 420.44 g/mol. Its IUPAC name is 6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)methyl]azetidin-3-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)methyl]azetidin-3-yl]oxypyridine-2-carboxamide
PubChem CID178131821
Molecular FormulaC19H18F2N4O3S
Molecular Weight420.44 g/mol
Exact Mass420.11
IUPAC Name6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)methyl]azetidin-3-yl]oxypyridine-2-carboxamide
SMILESCC1Sc2ccc(CN3CC(Oc4ccc(C(N)=O)nc4F)C3)c(F)c2NC1=O
InChIInChI=1S/C19H18F2N4O3S/c1-9-19(27)24-16-14(29-9)5-2-10(15(16)20)6-25-7-11(8-25)28-13-4-3-12(18(22)26)23-17(13)21/h2-5,9,11H,6-8H2,1H3,(H2,22,26)(H,24,27)
InChIKeyRTVFMOHIVZKQGB-UHFFFAOYSA-N
XLogP2.15
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)methyl]azetidin-3-yl]oxypyridine-2-carboxamide?
The IUPAC name of 6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)methyl]azetidin-3-yl]oxypyridine-2-carboxamide (CID 178131821) is 6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)methyl]azetidin-3-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)methyl]azetidin-3-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)methyl]azetidin-3-yl]oxypyridine-2-carboxamide is CC1Sc2ccc(CN3CC(Oc4ccc(C(N)=O)nc4F)C3)c(F)c2NC1=O.
What is the InChIKey of 6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)methyl]azetidin-3-yl]oxypyridine-2-carboxamide?
The InChIKey is RTVFMOHIVZKQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O3S/c1-9-19(27)24-16-14(29-9)5-2-10(15(16)20)6-25-7-11(8-25)28-13-4-3-12(18(22)26)23-17(13)21/h2-5,9,11H,6-8H2,1H3,(H2,22,26)(H,24,27).
What are the key properties of 6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)methyl]azetidin-3-yl]oxypyridine-2-carboxamide?
6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)methyl]azetidin-3-yl]oxypyridine-2-carboxamide has a molecular weight of 420.44 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[1-[(5-fluoro-2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)methyl]azetidin-3-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 178131821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).