5-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C23H20F3N3O2 — CID 95818341

About 5-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one

5-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 95818341) has the molecular formula C23H20F3N3O2 and a molecular weight of 427.43 g/mol. Its IUPAC name is 5-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 5-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
• PubChem CID: 95818341
• Molecular Formula: C23H20F3N3O2
• Molecular Weight: 427.43 g/mol
• Exact Mass: 427.15
• IUPAC Name: 5-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
• SMILES: O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1
• InChI: InChI=1S/C23H20F3N3O2/c24-23(25,26)17-9-6-15(7-10-17)13-18-3-1-4-19(28-18)20-5-2-12-29(20)22(31)16-8-11-21(30)27-14-16/h1,3-4,6-11,14,20H,2,5,12-13H2,(H,27,30)/t20-/m1/s1
• InChIKey: ZRSSYZGIOLFOSH-HXUWFJFHSA-N
• XLogP: 4.36
• TPSA: 66.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.43
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?

The IUPAC name of 5-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 95818341) is 5-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

What is the SMILES notation for 5-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?

The canonical SMILES for 5-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1.

What is the InChIKey of 5-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?

The InChIKey is ZRSSYZGIOLFOSH-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H20F3N3O2/c24-23(25,26)17-9-6-15(7-10-17)13-18-3-1-4-19(28-18)20-5-2-12-29(20)22(31)16-8-11-21(30)27-14-16/h1,3-4,6-11,14,20H,2,5,12-13H2,(H,27,30)/t20-/m1/s1.

What are the key properties of 5-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one?

5-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 427.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 95818341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).