4-methoxy-6-[5-[[(5R)-5-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile

C25H20N4O5 — CID 135390616

About 4-methoxy-6-[5-[[(5R)-5-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile

4-methoxy-6-[5-[[(5R)-5-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile (PubChem CID 135390616) has the molecular formula C25H20N4O5 and a molecular weight of 456.46 g/mol. Its IUPAC name is 4-methoxy-6-[5-[[(5R)-5-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 4-methoxy-6-[5-[[(5R)-5-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile
• PubChem CID: 135390616
• Molecular Formula: C25H20N4O5
• Molecular Weight: 456.46 g/mol
• Exact Mass: 456.14
• IUPAC Name: 4-methoxy-6-[5-[[(5R)-5-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile
• SMILES: COc1cc(-c2ccc(CN3C[C@@H](c4ccc5c(c4C)COC5=O)OC3=O)cn2)ncc1C#N
• InChI: InChI=1S/C25H20N4O5/c1-14-17(4-5-18-19(14)13-33-24(18)30)23-12-29(25(31)34-23)11-15-3-6-20(27-9-15)21-7-22(32-2)16(8-26)10-28-21/h3-7,9-10,23H,11-13H2,1-2H3/t23-/m0/s1
• InChIKey: QLSSHLCAABNEFA-QHCPKHFHSA-N
• XLogP: 3.70
• TPSA: 114.64 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.46
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[5-[[(5R)-5-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile?

The IUPAC name of 4-methoxy-6-[5-[[(5R)-5-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile (CID 135390616) is 4-methoxy-6-[5-[[(5R)-5-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile.

What is the SMILES notation for 4-methoxy-6-[5-[[(5R)-5-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile?

The canonical SMILES for 4-methoxy-6-[5-[[(5R)-5-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile is COc1cc(-c2ccc(CN3C[C@@H](c4ccc5c(c4C)COC5=O)OC3=O)cn2)ncc1C#N.

What is the InChIKey of 4-methoxy-6-[5-[[(5R)-5-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile?

The InChIKey is QLSSHLCAABNEFA-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H20N4O5/c1-14-17(4-5-18-19(14)13-33-24(18)30)23-12-29(25(31)34-23)11-15-3-6-20(27-9-15)21-7-22(32-2)16(8-26)10-28-21/h3-7,9-10,23H,11-13H2,1-2H3/t23-/m0/s1.

What are the key properties of 4-methoxy-6-[5-[[(5R)-5-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile?

4-methoxy-6-[5-[[(5R)-5-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile has a molecular weight of 456.46 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-6-[5-[[(5R)-5-(4-methyl-1-oxo-3H-2-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-3-yl]methyl]-2-pyridinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 135390616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).