5-[1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoro-N-methylpyridine-2-carboxamide

C22H23F2N5O3 — CID 176996078

About 5-[1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoro-N-methylpyridine-2-carboxamide

5-[1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoro-N-methylpyridine-2-carboxamide (PubChem CID 176996078) has the molecular formula C22H23F2N5O3 and a molecular weight of 443.45 g/mol. Its IUPAC name is 5-[1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoro-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoro-N-methylpyridine-2-carboxamide
• PubChem CID: 176996078
• Molecular Formula: C22H23F2N5O3
• Molecular Weight: 443.45 g/mol
• Exact Mass: 443.18
• IUPAC Name: 5-[1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoro-N-methylpyridine-2-carboxamide
• SMILES: CCc1cc2ncc(CN3CC(Oc4ccc(C(=O)NC)nc4F)C3C)c(F)c2[nH]c1=O
• InChI: InChI=1S/C22H23F2N5O3/c1-4-12-7-15-19(28-21(12)30)18(23)13(8-26-15)9-29-10-17(11(29)2)32-16-6-5-14(22(31)25-3)27-20(16)24/h5-8,11,17H,4,9-10H2,1-3H3,(H,25,31)(H,28,30)
• InChIKey: FQZHEXUBCFRJTR-UHFFFAOYSA-N
• XLogP: 2.17
• TPSA: 100.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.45
LogP ≤ 5	2.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoro-N-methylpyridine-2-carboxamide?

The IUPAC name of 5-[1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoro-N-methylpyridine-2-carboxamide (CID 176996078) is 5-[1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoro-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 5-[1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoro-N-methylpyridine-2-carboxamide?

The canonical SMILES for 5-[1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoro-N-methylpyridine-2-carboxamide is CCc1cc2ncc(CN3CC(Oc4ccc(C(=O)NC)nc4F)C3C)c(F)c2[nH]c1=O.

What is the InChIKey of 5-[1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoro-N-methylpyridine-2-carboxamide?

The InChIKey is FQZHEXUBCFRJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N5O3/c1-4-12-7-15-19(28-21(12)30)18(23)13(8-26-15)9-29-10-17(11(29)2)32-16-6-5-14(22(31)25-3)27-20(16)24/h5-8,11,17H,4,9-10H2,1-3H3,(H,25,31)(H,28,30).

What are the key properties of 5-[1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoro-N-methylpyridine-2-carboxamide?

5-[1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoro-N-methylpyridine-2-carboxamide has a molecular weight of 443.45 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(7-ethyl-4-fluoro-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-2-methylazetidin-3-yl]oxy-6-fluoro-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 176996078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).