(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-methylpyrrolidine-1,2-dicarboxamide

C25H24ClFN4O4 — CID 44582204

IUPAC(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-methylpyrrolidine-1,2-dicarboxamide
SMILESCc1cccn(-c2ccc(NC(=O)[C@H]3C[C@@](C)(O)CN3C(=O)Nc3ccc(Cl)cc3)c(F)c2)c1=O
InChIInChI=1S/C25H24ClFN4O4/c1-15-4-3-11-30(23(15)33)18-9-10-20(19(27)12-18)29-22(32)21-13-25(2,35)14-31(21)24(34)28-17-7-5-16(26)6-8-17/h3-12,21,35H,13-14H2,1-2H3,(H,28,34)(H,29,32)/t21-,25-/m1/s1
InChIKeyGGTGNPPQKCGMGG-PXDATVDWSA-N
MW498.94 g/mol
LogP3.93
Rot. Bonds4

About (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-methylpyrrolidine-1,2-dicarboxamide

(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-methylpyrrolidine-1,2-dicarboxamide (PubChem CID 44582204) has the molecular formula C25H24ClFN4O4 and a molecular weight of 498.94 g/mol. Its IUPAC name is (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-methylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-methylpyrrolidine-1,2-dicarboxamide
PubChem CID44582204
Molecular FormulaC25H24ClFN4O4
Molecular Weight498.94 g/mol
Exact Mass498.15
IUPAC Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-methylpyrrolidine-1,2-dicarboxamide
SMILESCc1cccn(-c2ccc(NC(=O)[C@H]3C[C@@](C)(O)CN3C(=O)Nc3ccc(Cl)cc3)c(F)c2)c1=O
InChIInChI=1S/C25H24ClFN4O4/c1-15-4-3-11-30(23(15)33)18-9-10-20(19(27)12-18)29-22(32)21-13-25(2,35)14-31(21)24(34)28-17-7-5-16(26)6-8-17/h3-12,21,35H,13-14H2,1-2H3,(H,28,34)(H,29,32)/t21-,25-/m1/s1
InChIKeyGGTGNPPQKCGMGG-PXDATVDWSA-N
XLogP3.93
TPSA103.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.94
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-methylpyrrolidine-1,2-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-methylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-methylpyrrolidine-1,2-dicarboxamide (CID 44582204) is (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-methylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-methylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-methylpyrrolidine-1,2-dicarboxamide is Cc1cccn(-c2ccc(NC(=O)[C@H]3C[C@@](C)(O)CN3C(=O)Nc3ccc(Cl)cc3)c(F)c2)c1=O.
What is the InChIKey of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-methylpyrrolidine-1,2-dicarboxamide?
The InChIKey is GGTGNPPQKCGMGG-PXDATVDWSA-N. The full InChI is InChI=1S/C25H24ClFN4O4/c1-15-4-3-11-30(23(15)33)18-9-10-20(19(27)12-18)29-22(32)21-13-25(2,35)14-31(21)24(34)28-17-7-5-16(26)6-8-17/h3-12,21,35H,13-14H2,1-2H3,(H,28,34)(H,29,32)/t21-,25-/m1/s1.
What are the key properties of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-methylpyrrolidine-1,2-dicarboxamide?
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-methylpyrrolidine-1,2-dicarboxamide has a molecular weight of 498.94 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-4-hydroxy-4-methylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 44582204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).