6-fluoro-5-[2-[(5-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyridine-2-carboxamide

C24H24F2N4O4 — CID 177234436

About 6-fluoro-5-[2-[(5-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyridine-2-carboxamide

6-fluoro-5-[2-[(5-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyridine-2-carboxamide (PubChem CID 177234436) has the molecular formula C24H24F2N4O4 and a molecular weight of 470.48 g/mol. Its IUPAC name is 6-fluoro-5-[2-[(5-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-5-[2-[(5-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyridine-2-carboxamide
• PubChem CID: 177234436
• Molecular Formula: C24H24F2N4O4
• Molecular Weight: 470.48 g/mol
• Exact Mass: 470.18
• IUPAC Name: 6-fluoro-5-[2-[(5-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(C2=CCN(Cc3ccc4c(c3F)NC(=O)C3(CCCC3)O4)OC2)c(F)n1
• InChI: InChI=1S/C24H24F2N4O4/c1-27-22(31)17-6-5-16(21(26)28-17)15-8-11-30(33-13-15)12-14-4-7-18-20(19(14)25)29-23(32)24(34-18)9-2-3-10-24/h4-8H,2-3,9-13H2,1H3,(H,27,31)(H,29,32)
• InChIKey: FJGMHOUWFLJDIG-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 92.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.48
LogP ≤ 5	3.19
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 6-fluoro-5-[2-[(5-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyridine-2-carboxamide?

The IUPAC name of 6-fluoro-5-[2-[(5-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyridine-2-carboxamide (CID 177234436) is 6-fluoro-5-[2-[(5-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyridine-2-carboxamide.

What is the SMILES notation for 6-fluoro-5-[2-[(5-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyridine-2-carboxamide?

The canonical SMILES for 6-fluoro-5-[2-[(5-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(C2=CCN(Cc3ccc4c(c3F)NC(=O)C3(CCCC3)O4)OC2)c(F)n1.

What is the InChIKey of 6-fluoro-5-[2-[(5-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyridine-2-carboxamide?

The InChIKey is FJGMHOUWFLJDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O4/c1-27-22(31)17-6-5-16(21(26)28-17)15-8-11-30(33-13-15)12-14-4-7-18-20(19(14)25)29-23(32)24(34-18)9-2-3-10-24/h4-8H,2-3,9-13H2,1H3,(H,27,31)(H,29,32).

What are the key properties of 6-fluoro-5-[2-[(5-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyridine-2-carboxamide?

6-fluoro-5-[2-[(5-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 470.48 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-5-[2-[(5-fluoro-3-oxospiro[4H-1,4-benzoxazine-2,1'-cyclopentane]-6-yl)methyl]-3,6-dihydrooxazin-5-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 177234436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).