2-[4-(5,6-difluoro-3-pyridinyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxazaphosphol-3-yl)phenyl]acetamide

C19H15F2N4O6P — CID 90891462

About 2-[4-(5,6-difluoro-3-pyridinyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxazaphosphol-3-yl)phenyl]acetamide

2-[4-(5,6-difluoro-3-pyridinyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxazaphosphol-3-yl)phenyl]acetamide (PubChem CID 90891462) has the molecular formula C19H15F2N4O6P and a molecular weight of 464.32 g/mol. Its IUPAC name is 2-[4-(5,6-difluoro-3-pyridinyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxazaphosphol-3-yl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(5,6-difluoro-3-pyridinyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxazaphosphol-3-yl)phenyl]acetamide
• PubChem CID: 90891462
• Molecular Formula: C19H15F2N4O6P
• Molecular Weight: 464.32 g/mol
• Exact Mass: 464.07
• IUPAC Name: 2-[4-(5,6-difluoro-3-pyridinyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxazaphosphol-3-yl)phenyl]acetamide
• SMILES: O=C(Nc1ccc(-c2noc(=O)[pH]2)cc1)C(O)C1OCCN(c2cnc(F)c(F)c2)C1=O
• InChI: InChI=1S/C19H15F2N4O6P/c20-12-7-11(8-22-15(12)21)25-5-6-30-14(18(25)28)13(26)16(27)23-10-3-1-9(2-4-10)17-24-31-19(29)32-17/h1-4,7-8,13-14,26,32H,5-6H2,(H,23,27)
• InChIKey: WVKXJEFWNHTWMN-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 134.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.32
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,6-difluoro-3-pyridinyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxazaphosphol-3-yl)phenyl]acetamide?

The IUPAC name of 2-[4-(5,6-difluoro-3-pyridinyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxazaphosphol-3-yl)phenyl]acetamide (CID 90891462) is 2-[4-(5,6-difluoro-3-pyridinyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxazaphosphol-3-yl)phenyl]acetamide.

What is the SMILES notation for 2-[4-(5,6-difluoro-3-pyridinyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxazaphosphol-3-yl)phenyl]acetamide?

The canonical SMILES for 2-[4-(5,6-difluoro-3-pyridinyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxazaphosphol-3-yl)phenyl]acetamide is O=C(Nc1ccc(-c2noc(=O)[pH]2)cc1)C(O)C1OCCN(c2cnc(F)c(F)c2)C1=O.

What is the InChIKey of 2-[4-(5,6-difluoro-3-pyridinyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxazaphosphol-3-yl)phenyl]acetamide?

The InChIKey is WVKXJEFWNHTWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N4O6P/c20-12-7-11(8-22-15(12)21)25-5-6-30-14(18(25)28)13(26)16(27)23-10-3-1-9(2-4-10)17-24-31-19(29)32-17/h1-4,7-8,13-14,26,32H,5-6H2,(H,23,27).

What are the key properties of 2-[4-(5,6-difluoro-3-pyridinyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxazaphosphol-3-yl)phenyl]acetamide?

2-[4-(5,6-difluoro-3-pyridinyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxazaphosphol-3-yl)phenyl]acetamide has a molecular weight of 464.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(5,6-difluoro-3-pyridinyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxazaphosphol-3-yl)phenyl]acetamide is sourced from PubChem (CID 90891462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).