4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methoxy-2-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide

C34H38F4N4O6 — CID 169319221

About 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methoxy-2-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide

4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methoxy-2-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide (PubChem CID 169319221) has the molecular formula C34H38F4N4O6 and a molecular weight of 674.69 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methoxy-2-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

• Compound Name: 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methoxy-2-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide
• PubChem CID: 169319221
• Molecular Formula: C34H38F4N4O6
• Molecular Weight: 674.69 g/mol
• Exact Mass: 674.27
• IUPAC Name: 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methoxy-2-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide
• SMILES: COc1cc(C2CCN(CC(C)(C)O)CC2)nc(N2C[C@@H](c3c(F)cc(OC)cc3F)[C@H](NC(=O)c3ccc(OC(F)F)cc3)C2=O)c1
• InChI: InChI=1S/C34H38F4N4O6/c1-34(2,45)18-41-11-9-19(10-12-41)27-15-23(47-4)16-28(39-27)42-17-24(29-25(35)13-22(46-3)14-26(29)36)30(32(42)44)40-31(43)20-5-7-21(8-6-20)48-33(37)38/h5-8,13-16,19,24,30,33,45H,9-12,17-18H2,1-4H3,(H,40,43)/t24-,30-/m0/s1
• InChIKey: KGAOXJNCNGZDJS-NGQVCNFZSA-N
• XLogP: 4.86
• TPSA: 113.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	674.69
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methoxy-2-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide?

The IUPAC name of 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methoxy-2-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide (CID 169319221) is 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methoxy-2-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide.

What is the SMILES notation for 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methoxy-2-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide?

The canonical SMILES for 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methoxy-2-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide is COc1cc(C2CCN(CC(C)(C)O)CC2)nc(N2C[C@@H](c3c(F)cc(OC)cc3F)[C@H](NC(=O)c3ccc(OC(F)F)cc3)C2=O)c1.

What is the InChIKey of 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methoxy-2-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide?

The InChIKey is KGAOXJNCNGZDJS-NGQVCNFZSA-N. The full InChI is InChI=1S/C34H38F4N4O6/c1-34(2,45)18-41-11-9-19(10-12-41)27-15-23(47-4)16-28(39-27)42-17-24(29-25(35)13-22(46-3)14-26(29)36)30(32(42)44)40-31(43)20-5-7-21(8-6-20)48-33(37)38/h5-8,13-16,19,24,30,33,45H,9-12,17-18H2,1-4H3,(H,40,43)/t24-,30-/m0/s1.

What are the key properties of 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methoxy-2-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide?

4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methoxy-2-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide has a molecular weight of 674.69 g/mol, XLogP of 4.86, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(difluoromethoxy)-N-[(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-1-[6-[1-(2-hydroxy-2-methylpropyl)piperidin-4-yl]-4-methoxy-2-pyridinyl]-2-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 169319221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).