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

C29H26ClN5O4 — CID 44582129

IUPAC(2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-4-(4-methylphenyl)-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc([C@@]2(O)C[C@H](C(=O)Nc3ccc(-n4ccccc4=O)cn3)N(C(=O)Nc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C29H26ClN5O4/c1-19-5-7-20(8-6-19)29(39)16-24(35(18-29)28(38)32-22-11-9-21(30)10-12-22)27(37)33-25-14-13-23(17-31-25)34-15-3-2-4-26(34)36/h2-15,17,24,39H,16,18H2,1H3,(H,32,38)(H,31,33,37)/t24-,29-/m1/s1
InChIKeyWXMJXVQQXMDGML-FUFSCUOVSA-N
MW544.01 g/mol
LogP4.33
Rot. Bonds5

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

(2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-4-(4-methylphenyl)-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 44582129) has the molecular formula C29H26ClN5O4 and a molecular weight of 544.01 g/mol. Its IUPAC name is (2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-4-(4-methylphenyl)-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-4-(4-methylphenyl)-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide
PubChem CID44582129
Molecular FormulaC29H26ClN5O4
Molecular Weight544.01 g/mol
Exact Mass543.17
IUPAC Name(2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-4-(4-methylphenyl)-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc([C@@]2(O)C[C@H](C(=O)Nc3ccc(-n4ccccc4=O)cn3)N(C(=O)Nc3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C29H26ClN5O4/c1-19-5-7-20(8-6-19)29(39)16-24(35(18-29)28(38)32-22-11-9-21(30)10-12-22)27(37)33-25-14-13-23(17-31-25)34-15-3-2-4-26(34)36/h2-15,17,24,39H,16,18H2,1H3,(H,32,38)(H,31,33,37)/t24-,29-/m1/s1
InChIKeyWXMJXVQQXMDGML-FUFSCUOVSA-N
XLogP4.33
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.01
LogP ≤ 54.33
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-4-(4-methylphenyl)-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-4-(4-methylphenyl)-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide (CID 44582129) is (2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-4-(4-methylphenyl)-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-hydroxy-4-(4-methylphenyl)-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-4-(4-methylphenyl)-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide is Cc1ccc([C@@]2(O)C[C@H](C(=O)Nc3ccc(-n4ccccc4=O)cn3)N(C(=O)Nc3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of (2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-4-(4-methylphenyl)-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is WXMJXVQQXMDGML-FUFSCUOVSA-N. The full InChI is InChI=1S/C29H26ClN5O4/c1-19-5-7-20(8-6-19)29(39)16-24(35(18-29)28(38)32-22-11-9-21(30)10-12-22)27(37)33-25-14-13-23(17-31-25)34-15-3-2-4-26(34)36/h2-15,17,24,39H,16,18H2,1H3,(H,32,38)(H,31,33,37)/t24-,29-/m1/s1.
What are the key properties of (2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-4-(4-methylphenyl)-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide?
(2R,4S)-1-N-(4-chlorophenyl)-4-hydroxy-4-(4-methylphenyl)-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 544.01 g/mol, XLogP of 4.33, 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-4-(4-methylphenyl)-2-N-[5-(2-oxo-1-pyridinyl)-2-pyridinyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 44582129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).