3-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide

C21H24N4O3 — CID 110205419

IUPAC3-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccccn3)C2=O)cc1
InChIInChI=1S/C21H24N4O3/c1-14(2)15-6-8-17(9-7-15)25-20(27)18(24-21(25)28)10-11-19(26)23-13-16-5-3-4-12-22-16/h3-9,12,14,18H,10-11,13H2,1-2H3,(H,23,26)(H,24,28)/t18-/m0/s1
InChIKeyJRARQBRJZFEMES-SFHVURJKSA-N
MW380.45 g/mol
LogP2.73
Rot. Bonds7

About 3-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide

3-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 110205419) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID110205419
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name3-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccccn3)C2=O)cc1
InChIInChI=1S/C21H24N4O3/c1-14(2)15-6-8-17(9-7-15)25-20(27)18(24-21(25)28)10-11-19(26)23-13-16-5-3-4-12-22-16/h3-9,12,14,18H,10-11,13H2,1-2H3,(H,23,26)(H,24,28)/t18-/m0/s1
InChIKeyJRARQBRJZFEMES-SFHVURJKSA-N
XLogP2.73
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 122169569
2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 91821591
3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 126418778
3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 124841892
N-(2-amino-2-methylpropyl)-3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 119630707
3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120650855
2-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 127254749
4-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108404
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide
CID 110204659
3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110685355
(3S)-5-oxo-1-(4-propan-2-ylphenyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 93018322

Frequently Asked Questions

What is the IUPAC name of 3-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of 3-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide (CID 110205419) is 3-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for 3-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide is CC(C)c1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccccn3)C2=O)cc1.
What is the InChIKey of 3-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is JRARQBRJZFEMES-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14(2)15-6-8-17(9-7-15)25-20(27)18(24-21(25)28)10-11-19(26)23-13-16-5-3-4-12-22-16/h3-9,12,14,18H,10-11,13H2,1-2H3,(H,23,26)(H,24,28)/t18-/m0/s1.
What are the key properties of 3-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide?
3-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 380.45 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 110205419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).