(2S,4S)-2-N-(3-chloro-4-fluorophenyl)-4-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,4-dicarboxamide

C24H28ClF4N5O2 — CID 168877073

About (2S,4S)-2-N-(3-chloro-4-fluorophenyl)-4-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,4-dicarboxamide

(2S,4S)-2-N-(3-chloro-4-fluorophenyl)-4-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,4-dicarboxamide (PubChem CID 168877073) has the molecular formula C24H28ClF4N5O2 and a molecular weight of 529.97 g/mol. Its IUPAC name is (2S,4S)-2-N-(3-chloro-4-fluorophenyl)-4-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,4-dicarboxamide.

Molecular Properties

• Compound Name: (2S,4S)-2-N-(3-chloro-4-fluorophenyl)-4-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,4-dicarboxamide
• PubChem CID: 168877073
• Molecular Formula: C24H28ClF4N5O2
• Molecular Weight: 529.97 g/mol
• Exact Mass: 529.19
• IUPAC Name: (2S,4S)-2-N-(3-chloro-4-fluorophenyl)-4-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,4-dicarboxamide
• SMILES: Cc1cc(C(F)(F)F)cc(N2C[C@@H](C(=O)NCCN(C)C)C[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1
• InChI: InChI=1S/C24H28ClF4N5O2/c1-14-9-16(24(27,28)29)11-21(31-14)34-13-15(22(35)30-7-8-32(2)3)10-20(34)23(36)33(4)17-5-6-19(26)18(25)12-17/h5-6,9,11-12,15,20H,7-8,10,13H2,1-4H3,(H,30,35)/t15-,20-/m0/s1
• InChIKey: PZGJAWOKOQLSGM-YWZLYKJASA-N
• XLogP: 3.74
• TPSA: 68.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.97
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-N-(3-chloro-4-fluorophenyl)-4-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,4-dicarboxamide?

The IUPAC name of (2S,4S)-2-N-(3-chloro-4-fluorophenyl)-4-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,4-dicarboxamide (CID 168877073) is (2S,4S)-2-N-(3-chloro-4-fluorophenyl)-4-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,4-dicarboxamide.

What is the SMILES notation for (2S,4S)-2-N-(3-chloro-4-fluorophenyl)-4-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,4-dicarboxamide?

The canonical SMILES for (2S,4S)-2-N-(3-chloro-4-fluorophenyl)-4-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,4-dicarboxamide is Cc1cc(C(F)(F)F)cc(N2C[C@@H](C(=O)NCCN(C)C)C[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1.

What is the InChIKey of (2S,4S)-2-N-(3-chloro-4-fluorophenyl)-4-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,4-dicarboxamide?

The InChIKey is PZGJAWOKOQLSGM-YWZLYKJASA-N. The full InChI is InChI=1S/C24H28ClF4N5O2/c1-14-9-16(24(27,28)29)11-21(31-14)34-13-15(22(35)30-7-8-32(2)3)10-20(34)23(36)33(4)17-5-6-19(26)18(25)12-17/h5-6,9,11-12,15,20H,7-8,10,13H2,1-4H3,(H,30,35)/t15-,20-/m0/s1.

What are the key properties of (2S,4S)-2-N-(3-chloro-4-fluorophenyl)-4-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,4-dicarboxamide?

(2S,4S)-2-N-(3-chloro-4-fluorophenyl)-4-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,4-dicarboxamide has a molecular weight of 529.97 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S)-2-N-(3-chloro-4-fluorophenyl)-4-N-[2-(dimethylamino)ethyl]-2-N-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2,4-dicarboxamide is sourced from PubChem (CID 168877073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).