N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide

C27H26F3N3O5 — CID 169319322

About N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide

N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 169319322) has the molecular formula C27H26F3N3O5 and a molecular weight of 529.52 g/mol. Its IUPAC name is N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

• Compound Name: N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
• PubChem CID: 169319322
• Molecular Formula: C27H26F3N3O5
• Molecular Weight: 529.52 g/mol
• Exact Mass: 529.18
• IUPAC Name: N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
• SMILES: CCn1ccc(C)c(N2C[C@@H](c3ccc(OC)cc3)[C@H](NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)c1=O
• InChI: InChI=1S/C27H26F3N3O5/c1-4-32-14-13-16(2)23(26(32)36)33-15-21(17-5-9-19(37-3)10-6-17)22(25(33)35)31-24(34)18-7-11-20(12-8-18)38-27(28,29)30/h5-14,21-22H,4,15H2,1-3H3,(H,31,34)/t21-,22-/m0/s1
• InChIKey: HTXQGNOUUDIVHT-VXKWHMMOSA-N
• XLogP: 4.01
• TPSA: 89.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.52
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide?

The IUPAC name of N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide (CID 169319322) is N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide.

What is the SMILES notation for N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide?

The canonical SMILES for N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide is CCn1ccc(C)c(N2C[C@@H](c3ccc(OC)cc3)[C@H](NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)c1=O.

What is the InChIKey of N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide?

The InChIKey is HTXQGNOUUDIVHT-VXKWHMMOSA-N. The full InChI is InChI=1S/C27H26F3N3O5/c1-4-32-14-13-16(2)23(26(32)36)33-15-21(17-5-9-19(37-3)10-6-17)22(25(33)35)31-24(34)18-7-11-20(12-8-18)38-27(28,29)30/h5-14,21-22H,4,15H2,1-3H3,(H,31,34)/t21-,22-/m0/s1.

What are the key properties of N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide?

N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 529.52 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 169319322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).