(2R,4S)-1-N-(4-chlorophenyl)-4-(4-fluorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide

C28H23ClFN5O4 — CID 44582223

About (2R,4S)-1-N-(4-chlorophenyl)-4-(4-fluorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide

(2R,4S)-1-N-(4-chlorophenyl)-4-(4-fluorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 44582223) has the molecular formula C28H23ClFN5O4 and a molecular weight of 547.97 g/mol. Its IUPAC name is (2R,4S)-1-N-(4-chlorophenyl)-4-(4-fluorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

• Compound Name: (2R,4S)-1-N-(4-chlorophenyl)-4-(4-fluorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide
• PubChem CID: 44582223
• Molecular Formula: C28H23ClFN5O4
• Molecular Weight: 547.97 g/mol
• Exact Mass: 547.14
• IUPAC Name: (2R,4S)-1-N-(4-chlorophenyl)-4-(4-fluorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide
• SMILES: O=C(Nc1ccc(-n2ccccc2=O)cn1)[C@H]1C[C@](O)(c2ccc(F)cc2)CN1C(=O)Nc1ccc(Cl)cc1
• InChI: InChI=1S/C28H23ClFN5O4/c29-19-6-10-21(11-7-19)32-27(38)35-17-28(39,18-4-8-20(30)9-5-18)15-23(35)26(37)33-24-13-12-22(16-31-24)34-14-2-1-3-25(34)36/h1-14,16,23,39H,15,17H2,(H,32,38)(H,31,33,37)/t23-,28-/m1/s1
• InChIKey: JVPJGJLOVRLHDX-QDPGVEIFSA-N
• XLogP: 4.16
• TPSA: 116.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.97
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-N-(4-chlorophenyl)-4-(4-fluorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide?

The IUPAC name of (2R,4S)-1-N-(4-chlorophenyl)-4-(4-fluorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide (CID 44582223) is (2R,4S)-1-N-(4-chlorophenyl)-4-(4-fluorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide.

What is the SMILES notation for (2R,4S)-1-N-(4-chlorophenyl)-4-(4-fluorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide?

The canonical SMILES for (2R,4S)-1-N-(4-chlorophenyl)-4-(4-fluorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide is O=C(Nc1ccc(-n2ccccc2=O)cn1)[C@H]1C[C@](O)(c2ccc(F)cc2)CN1C(=O)Nc1ccc(Cl)cc1.

What is the InChIKey of (2R,4S)-1-N-(4-chlorophenyl)-4-(4-fluorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide?

The InChIKey is JVPJGJLOVRLHDX-QDPGVEIFSA-N. The full InChI is InChI=1S/C28H23ClFN5O4/c29-19-6-10-21(11-7-19)32-27(38)35-17-28(39,18-4-8-20(30)9-5-18)15-23(35)26(37)33-24-13-12-22(16-31-24)34-14-2-1-3-25(34)36/h1-14,16,23,39H,15,17H2,(H,32,38)(H,31,33,37)/t23-,28-/m1/s1.

What are the key properties of (2R,4S)-1-N-(4-chlorophenyl)-4-(4-fluorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide?

(2R,4S)-1-N-(4-chlorophenyl)-4-(4-fluorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 547.97 g/mol, XLogP of 4.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S)-1-N-(4-chlorophenyl)-4-(4-fluorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 44582223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).