N-[(2S)-1-[[(2S,3S)-4-[(5S)-2,4-dioxo-5-[(4-phenylphenyl)methyl]imidazolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide

C37H39N5O5 — CID 6539277

IUPACN-[(2S)-1-[[(2S,3S)-4-[(5S)-2,4-dioxo-5-[(4-phenylphenyl)methyl]imidazolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1C(=O)NC(=O)[C@@H]1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C37H39N5O5/c1-24(2)33(40-34(44)29-15-9-10-20-38-29)36(46)39-30(21-25-11-5-3-6-12-25)32(43)23-42-31(35(45)41-37(42)47)22-26-16-18-28(19-17-26)27-13-7-4-8-14-27/h3-20,24,30-33,43H,21-23H2,1-2H3,(H,39,46)(H,40,44)(H,41,45,47)/t30-,31-,32-,33-/m0/s1
InChIKeyGFSZPUOGGGSOHQ-YRCZKMHPSA-N
MW633.75 g/mol
LogP3.75
Rot. Bonds13

About N-[(2S)-1-[[(2S,3S)-4-[(5S)-2,4-dioxo-5-[(4-phenylphenyl)methyl]imidazolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide

N-[(2S)-1-[[(2S,3S)-4-[(5S)-2,4-dioxo-5-[(4-phenylphenyl)methyl]imidazolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide (PubChem CID 6539277) has the molecular formula C37H39N5O5 and a molecular weight of 633.75 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S,3S)-4-[(5S)-2,4-dioxo-5-[(4-phenylphenyl)methyl]imidazolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(2S,3S)-4-[(5S)-2,4-dioxo-5-[(4-phenylphenyl)methyl]imidazolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
PubChem CID6539277
Molecular FormulaC37H39N5O5
Molecular Weight633.75 g/mol
Exact Mass633.30
IUPAC NameN-[(2S)-1-[[(2S,3S)-4-[(5S)-2,4-dioxo-5-[(4-phenylphenyl)methyl]imidazolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
SMILESCC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1C(=O)NC(=O)[C@@H]1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C37H39N5O5/c1-24(2)33(40-34(44)29-15-9-10-20-38-29)36(46)39-30(21-25-11-5-3-6-12-25)32(43)23-42-31(35(45)41-37(42)47)22-26-16-18-28(19-17-26)27-13-7-4-8-14-27/h3-20,24,30-33,43H,21-23H2,1-2H3,(H,39,46)(H,40,44)(H,41,45,47)/t30-,31-,32-,33-/m0/s1
InChIKeyGFSZPUOGGGSOHQ-YRCZKMHPSA-N
XLogP3.75
TPSA140.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500633.75
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze N-[(2S)-1-[[(2S,3S)-4-[(5S)-2,4-dioxo-5-[(4-phenylphenyl)methyl]imidazolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S,3S)-4-[(5S)-2,4-dioxo-5-[(4-phenylphenyl)methyl]imidazolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-[[(2S,3S)-4-[(5S)-2,4-dioxo-5-[(4-phenylphenyl)methyl]imidazolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide (CID 6539277) is N-[(2S)-1-[[(2S,3S)-4-[(5S)-2,4-dioxo-5-[(4-phenylphenyl)methyl]imidazolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(2S,3S)-4-[(5S)-2,4-dioxo-5-[(4-phenylphenyl)methyl]imidazolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(2S,3S)-4-[(5S)-2,4-dioxo-5-[(4-phenylphenyl)methyl]imidazolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide is CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1C(=O)NC(=O)[C@@H]1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(2S)-1-[[(2S,3S)-4-[(5S)-2,4-dioxo-5-[(4-phenylphenyl)methyl]imidazolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide?
The InChIKey is GFSZPUOGGGSOHQ-YRCZKMHPSA-N. The full InChI is InChI=1S/C37H39N5O5/c1-24(2)33(40-34(44)29-15-9-10-20-38-29)36(46)39-30(21-25-11-5-3-6-12-25)32(43)23-42-31(35(45)41-37(42)47)22-26-16-18-28(19-17-26)27-13-7-4-8-14-27/h3-20,24,30-33,43H,21-23H2,1-2H3,(H,39,46)(H,40,44)(H,41,45,47)/t30-,31-,32-,33-/m0/s1.
What are the key properties of N-[(2S)-1-[[(2S,3S)-4-[(5S)-2,4-dioxo-5-[(4-phenylphenyl)methyl]imidazolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide?
N-[(2S)-1-[[(2S,3S)-4-[(5S)-2,4-dioxo-5-[(4-phenylphenyl)methyl]imidazolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide has a molecular weight of 633.75 g/mol, XLogP of 3.75, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(2S,3S)-4-[(5S)-2,4-dioxo-5-[(4-phenylphenyl)methyl]imidazolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 6539277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).