6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5,7-dioxo-[1,3]oxazolo[3,2-a]pyridine-2-carboxamide

C23H19F2N3O5 — CID 10434153

About 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5,7-dioxo-[1,3]oxazolo[3,2-a]pyridine-2-carboxamide

6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5,7-dioxo-[1,3]oxazolo[3,2-a]pyridine-2-carboxamide (PubChem CID 10434153) has the molecular formula C23H19F2N3O5 and a molecular weight of 455.42 g/mol. Its IUPAC name is 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5,7-dioxo-[1,3]oxazolo[3,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5,7-dioxo-[1,3]oxazolo[3,2-a]pyridine-2-carboxamide
• PubChem CID: 10434153
• Molecular Formula: C23H19F2N3O5
• Molecular Weight: 455.42 g/mol
• Exact Mass: 455.13
• IUPAC Name: 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5,7-dioxo-[1,3]oxazolo[3,2-a]pyridine-2-carboxamide
• SMILES: COc1cc(CNC(=O)C2=CN3C(=O)C(Cc4ccc(F)c(F)c4)C(=O)C(C)=C3O2)ccn1
• InChI: InChI=1S/C23H19F2N3O5/c1-12-20(29)15(7-13-3-4-16(24)17(25)8-13)22(31)28-11-18(33-23(12)28)21(30)27-10-14-5-6-26-19(9-14)32-2/h3-6,8-9,11,15H,7,10H2,1-2H3,(H,27,30)
• InChIKey: NYAJOEYUZCYRTN-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 97.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.42
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5,7-dioxo-[1,3]oxazolo[3,2-a]pyridine-2-carboxamide?

The IUPAC name of 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5,7-dioxo-[1,3]oxazolo[3,2-a]pyridine-2-carboxamide (CID 10434153) is 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5,7-dioxo-[1,3]oxazolo[3,2-a]pyridine-2-carboxamide.

What is the SMILES notation for 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5,7-dioxo-[1,3]oxazolo[3,2-a]pyridine-2-carboxamide?

The canonical SMILES for 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5,7-dioxo-[1,3]oxazolo[3,2-a]pyridine-2-carboxamide is COc1cc(CNC(=O)C2=CN3C(=O)C(Cc4ccc(F)c(F)c4)C(=O)C(C)=C3O2)ccn1.

What is the InChIKey of 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5,7-dioxo-[1,3]oxazolo[3,2-a]pyridine-2-carboxamide?

The InChIKey is NYAJOEYUZCYRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O5/c1-12-20(29)15(7-13-3-4-16(24)17(25)8-13)22(31)28-11-18(33-23(12)28)21(30)27-10-14-5-6-26-19(9-14)32-2/h3-6,8-9,11,15H,7,10H2,1-2H3,(H,27,30).

What are the key properties of 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5,7-dioxo-[1,3]oxazolo[3,2-a]pyridine-2-carboxamide?

6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5,7-dioxo-[1,3]oxazolo[3,2-a]pyridine-2-carboxamide has a molecular weight of 455.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3,4-difluorophenyl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-8-methyl-5,7-dioxo-[1,3]oxazolo[3,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 10434153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).