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

C27H25F4N3O5 — CID 169319003

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

N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 169319003) has the molecular formula C27H25F4N3O5 and a molecular weight of 547.51 g/mol. Its IUPAC name is N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(2-fluoro-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-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
• PubChem CID: 169319003
• Molecular Formula: C27H25F4N3O5
• Molecular Weight: 547.51 g/mol
• Exact Mass: 547.17
• IUPAC Name: N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide
• SMILES: CCn1ccc(C)c(N2C[C@@H](c3ccc(OC)cc3F)[C@H](NC(=O)c3ccc(OC(F)(F)F)cc3)C2=O)c1=O
• InChI: InChI=1S/C27H25F4N3O5/c1-4-33-12-11-15(2)23(26(33)37)34-14-20(19-10-9-18(38-3)13-21(19)28)22(25(34)36)32-24(35)16-5-7-17(8-6-16)39-27(29,30)31/h5-13,20,22H,4,14H2,1-3H3,(H,32,35)/t20-,22-/m0/s1
• InChIKey: OROPLKBHNPWHJF-UNMCSNQZSA-N
• XLogP: 4.15
• TPSA: 89.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.51
LogP ≤ 5	4.15
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-(2-fluoro-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-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide (CID 169319003) is N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(2-fluoro-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-(2-fluoro-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-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide is CCn1ccc(C)c(N2C[C@@H](c3ccc(OC)cc3F)[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-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide?

The InChIKey is OROPLKBHNPWHJF-UNMCSNQZSA-N. The full InChI is InChI=1S/C27H25F4N3O5/c1-4-33-12-11-15(2)23(26(33)37)34-14-20(19-10-9-18(38-3)13-21(19)28)22(25(34)36)32-24(35)16-5-7-17(8-6-16)39-27(29,30)31/h5-13,20,22H,4,14H2,1-3H3,(H,32,35)/t20-,22-/m0/s1.

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

N-[(3S,4R)-1-(1-ethyl-4-methyl-2-oxo-3-pyridinyl)-4-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 547.51 g/mol, XLogP of 4.15, 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-(2-fluoro-4-methoxyphenyl)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 169319003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).