3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide

C23H22N4O3 — CID 124841892

IUPAC3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide
SMILESO=C(CC[C@H]1NC(=O)N(c2cccc3ccccc23)C1=O)NCCc1ccccn1
InChIInChI=1S/C23H22N4O3/c28-21(25-15-13-17-8-3-4-14-24-17)12-11-19-22(29)27(23(30)26-19)20-10-5-7-16-6-1-2-9-18(16)20/h1-10,14,19H,11-13,15H2,(H,25,28)(H,26,30)/t19-/m1/s1
InChIKeyBGIPPGYWJJQLEO-LJQANCHMSA-N
MW402.45 g/mol
LogP2.80
Rot. Bonds7

About 3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide

3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 124841892) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID124841892
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide
SMILESO=C(CC[C@H]1NC(=O)N(c2cccc3ccccc23)C1=O)NCCc1ccccn1
InChIInChI=1S/C23H22N4O3/c28-21(25-15-13-17-8-3-4-14-24-17)12-11-19-22(29)27(23(30)26-19)20-10-5-7-16-6-1-2-9-18(16)20/h1-10,14,19H,11-13,15H2,(H,25,28)(H,26,30)/t19-/m1/s1
InChIKeyBGIPPGYWJJQLEO-LJQANCHMSA-N
XLogP2.80
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 122169569
3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 124853948
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 124850117
3-[(4R)-1-[(2-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 124862016
3-[(4S)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 110205419
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 124850987
2-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 91641286
3-(3-methylidenecyclobutyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 143295596
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
3-[(4S)-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide
CID 110204659
2-(2,6-dimethylphenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 29292137
N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide
CID 171674202

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide (CID 124841892) is 3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide is O=C(CC[C@H]1NC(=O)N(c2cccc3ccccc23)C1=O)NCCc1ccccn1.
What is the InChIKey of 3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is BGIPPGYWJJQLEO-LJQANCHMSA-N. The full InChI is InChI=1S/C23H22N4O3/c28-21(25-15-13-17-8-3-4-14-24-17)12-11-19-22(29)27(23(30)26-19)20-10-5-7-16-6-1-2-9-18(16)20/h1-10,14,19H,11-13,15H2,(H,25,28)(H,26,30)/t19-/m1/s1.
What are the key properties of 3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide?
3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 402.45 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 124841892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).