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

C28H24ClN5O4 — CID 44582128

IUPAC(2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]-4-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccc(-n2ccccc2=O)cn1)[C@H]1C[C@](O)(c2ccccc2)CN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C28H24ClN5O4/c29-20-9-11-21(12-10-20)31-27(37)34-18-28(38,19-6-2-1-3-7-19)16-23(34)26(36)32-24-14-13-22(17-30-24)33-15-5-4-8-25(33)35/h1-15,17,23,38H,16,18H2,(H,31,37)(H,30,32,36)/t23-,28-/m1/s1
InChIKeyZKLOTLQAGNYORV-QDPGVEIFSA-N
MW529.98 g/mol
LogP4.02
Rot. Bonds5

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

(2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]-4-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 44582128) has the molecular formula C28H24ClN5O4 and a molecular weight of 529.98 g/mol. Its IUPAC name is (2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]-4-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]-4-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID44582128
Molecular FormulaC28H24ClN5O4
Molecular Weight529.98 g/mol
Exact Mass529.15
IUPAC Name(2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]-4-phenylpyrrolidine-1,2-dicarboxamide
SMILESO=C(Nc1ccc(-n2ccccc2=O)cn1)[C@H]1C[C@](O)(c2ccccc2)CN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C28H24ClN5O4/c29-20-9-11-21(12-10-20)31-27(37)34-18-28(38,19-6-2-1-3-7-19)16-23(34)26(36)32-24-14-13-22(17-30-24)33-15-5-4-8-25(33)35/h1-15,17,23,38H,16,18H2,(H,31,37)(H,30,32,36)/t23-,28-/m1/s1
InChIKeyZKLOTLQAGNYORV-QDPGVEIFSA-N
XLogP4.02
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.98
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]-4-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]-4-phenylpyrrolidine-1,2-dicarboxamide (CID 44582128) is (2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]-4-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]-4-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]-4-phenylpyrrolidine-1,2-dicarboxamide is O=C(Nc1ccc(-n2ccccc2=O)cn1)[C@H]1C[C@](O)(c2ccccc2)CN1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]-4-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is ZKLOTLQAGNYORV-QDPGVEIFSA-N. The full InChI is InChI=1S/C28H24ClN5O4/c29-20-9-11-21(12-10-20)31-27(37)34-18-28(38,19-6-2-1-3-7-19)16-23(34)26(36)32-24-14-13-22(17-30-24)33-15-5-4-8-25(33)35/h1-15,17,23,38H,16,18H2,(H,31,37)(H,30,32,36)/t23-,28-/m1/s1.
What are the key properties of (2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]-4-phenylpyrrolidine-1,2-dicarboxamide?
(2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]-4-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 529.98 g/mol, XLogP of 4.02, 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-hydroxy-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]-4-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 44582128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).