methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-hydroxy-1-(2-oxoethyl)-3-phenylmethoxy-4H-pyridine-2-carboxylate

C24H22F2N2O6 — CID 130240391

About methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-hydroxy-1-(2-oxoethyl)-3-phenylmethoxy-4H-pyridine-2-carboxylate

methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-hydroxy-1-(2-oxoethyl)-3-phenylmethoxy-4H-pyridine-2-carboxylate (PubChem CID 130240391) has the molecular formula C24H22F2N2O6 and a molecular weight of 472.44 g/mol. Its IUPAC name is methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-hydroxy-1-(2-oxoethyl)-3-phenylmethoxy-4H-pyridine-2-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-hydroxy-1-(2-oxoethyl)-3-phenylmethoxy-4H-pyridine-2-carboxylate
• PubChem CID: 130240391
• Molecular Formula: C24H22F2N2O6
• Molecular Weight: 472.44 g/mol
• Exact Mass: 472.14
• IUPAC Name: methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-hydroxy-1-(2-oxoethyl)-3-phenylmethoxy-4H-pyridine-2-carboxylate
• SMILES: COC(=O)C1=C(OCc2ccccc2)C(O)C(C(=O)NCc2ccc(F)cc2F)=CN1CC=O
• InChI: InChI=1S/C24H22F2N2O6/c1-33-24(32)20-22(34-14-15-5-3-2-4-6-15)21(30)18(13-28(20)9-10-29)23(31)27-12-16-7-8-17(25)11-19(16)26/h2-8,10-11,13,21,30H,9,12,14H2,1H3,(H,27,31)
• InChIKey: UZBMBDNCWPBHAY-UHFFFAOYSA-N
• XLogP: 1.94
• TPSA: 105.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.44
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-hydroxy-1-(2-oxoethyl)-3-phenylmethoxy-4H-pyridine-2-carboxylate?

The IUPAC name of methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-hydroxy-1-(2-oxoethyl)-3-phenylmethoxy-4H-pyridine-2-carboxylate (CID 130240391) is methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-hydroxy-1-(2-oxoethyl)-3-phenylmethoxy-4H-pyridine-2-carboxylate.

What is the SMILES notation for methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-hydroxy-1-(2-oxoethyl)-3-phenylmethoxy-4H-pyridine-2-carboxylate?

The canonical SMILES for methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-hydroxy-1-(2-oxoethyl)-3-phenylmethoxy-4H-pyridine-2-carboxylate is COC(=O)C1=C(OCc2ccccc2)C(O)C(C(=O)NCc2ccc(F)cc2F)=CN1CC=O.

What is the InChIKey of methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-hydroxy-1-(2-oxoethyl)-3-phenylmethoxy-4H-pyridine-2-carboxylate?

The InChIKey is UZBMBDNCWPBHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O6/c1-33-24(32)20-22(34-14-15-5-3-2-4-6-15)21(30)18(13-28(20)9-10-29)23(31)27-12-16-7-8-17(25)11-19(16)26/h2-8,10-11,13,21,30H,9,12,14H2,1H3,(H,27,31).

What are the key properties of methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-hydroxy-1-(2-oxoethyl)-3-phenylmethoxy-4H-pyridine-2-carboxylate?

methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-hydroxy-1-(2-oxoethyl)-3-phenylmethoxy-4H-pyridine-2-carboxylate has a molecular weight of 472.44 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[(2,4-difluorophenyl)methylcarbamoyl]-4-hydroxy-1-(2-oxoethyl)-3-phenylmethoxy-4H-pyridine-2-carboxylate is sourced from PubChem (CID 130240391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).