2-[[(2R)-1-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide

C27H31ClF3N5O3 — CID 56967063

About 2-[[(2R)-1-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide

2-[[(2R)-1-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide (PubChem CID 56967063) has the molecular formula C27H31ClF3N5O3 and a molecular weight of 566.02 g/mol. Its IUPAC name is 2-[[(2R)-1-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[[(2R)-1-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide
• PubChem CID: 56967063
• Molecular Formula: C27H31ClF3N5O3
• Molecular Weight: 566.02 g/mol
• Exact Mass: 565.21
• IUPAC Name: 2-[[(2R)-1-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide
• SMILES: Cc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C(F)(F)F)c3)CC2)n1
• InChI: InChI=1S/C27H31ClF3N5O3/c1-16-12-18(26(39)34(2)3)14-23(32-16)33-25(38)22-6-7-24(37)36(22)19-8-10-35(11-9-19)15-17-4-5-21(28)20(13-17)27(29,30)31/h4-5,12-14,19,22H,6-11,15H2,1-3H3,(H,32,33,38)/t22-/m1/s1
• InChIKey: UGHANIQBLJXNGL-JOCHJYFZSA-N
• XLogP: 4.36
• TPSA: 85.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.02
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide?

The IUPAC name of 2-[[(2R)-1-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide (CID 56967063) is 2-[[(2R)-1-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide.

What is the SMILES notation for 2-[[(2R)-1-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide?

The canonical SMILES for 2-[[(2R)-1-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide is Cc1cc(C(=O)N(C)C)cc(NC(=O)[C@H]2CCC(=O)N2C2CCN(Cc3ccc(Cl)c(C(F)(F)F)c3)CC2)n1.

What is the InChIKey of 2-[[(2R)-1-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide?

The InChIKey is UGHANIQBLJXNGL-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H31ClF3N5O3/c1-16-12-18(26(39)34(2)3)14-23(32-16)33-25(38)22-6-7-24(37)36(22)19-8-10-35(11-9-19)15-17-4-5-21(28)20(13-17)27(29,30)31/h4-5,12-14,19,22H,6-11,15H2,1-3H3,(H,32,33,38)/t22-/m1/s1.

What are the key properties of 2-[[(2R)-1-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide?

2-[[(2R)-1-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide has a molecular weight of 566.02 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2R)-1-[1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carbonyl]amino]-N,N,6-trimethylpyridine-4-carboxamide is sourced from PubChem (CID 56967063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).