2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride

C18H27Cl2N5O3 — CID 154897661

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride
SMILESCCC[C@H]1CN(Cc2ccncc2)C[C@@H]1NC(=O)CN1C(=O)CNC1=O.Cl.Cl
InChIInChI=1S/C18H25N5O3.2ClH/c1-2-3-14-10-22(9-13-4-6-19-7-5-13)11-15(14)21-16(24)12-23-17(25)8-20-18(23)26;;/h4-7,14-15H,2-3,8-12H2,1H3,(H,20,26)(H,21,24);2*1H/t14-,15-;;/m0../s1
InChIKeyPHADVPDMIUURDP-WVFPUEBHSA-N
MW432.35 g/mol
LogP1.19
Rot. Bonds7

About 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride

2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride (PubChem CID 154897661) has the molecular formula C18H27Cl2N5O3 and a molecular weight of 432.35 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride
PubChem CID154897661
Molecular FormulaC18H27Cl2N5O3
Molecular Weight432.35 g/mol
Exact Mass431.15
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride
SMILESCCC[C@H]1CN(Cc2ccncc2)C[C@@H]1NC(=O)CN1C(=O)CNC1=O.Cl.Cl
InChIInChI=1S/C18H25N5O3.2ClH/c1-2-3-14-10-22(9-13-4-6-19-7-5-13)11-15(14)21-16(24)12-23-17(25)8-20-18(23)26;;/h4-7,14-15H,2-3,8-12H2,1H3,(H,20,26)(H,21,24);2*1H/t14-,15-;;/m0../s1
InChIKeyPHADVPDMIUURDP-WVFPUEBHSA-N
XLogP1.19
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S,4R)-1-benzyl-4-propylpyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide
CID 133120470
2-methylsulfanyl-N-[(3S,4R)-4-propyl-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 133130373
N-[(3R,4S)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 72889125
N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]-2-pyridin-3-ylacetamide
CID 133114350
N-[(3S,4R)-1-(1H-imidazol-5-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 133135547
N-[(3R,4S)-1-[(3-methyl-2-pyridinyl)methyl]-4-propylpyrrolidin-3-yl]-2-methylsulfanylacetamide
CID 72839443
N-[(3S,4R)-1-[[4-(methylsulfamoyl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide
CID 133122299
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]-2-(3-methoxyphenyl)acetamide
CID 91910962
2-(5-methylpyrazol-1-yl)-N-[(3S,4R)-1-(2-methylsulfonylethyl)-4-propylpyrrolidin-3-yl]acetamide
CID 133117836
N-[(3R,4S)-1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-3-yl]-3-methylsulfonylpropanamide
CID 86283433
6-propyl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64879861
1-benzyl-3-[(3S,4R)-4-[(dimethylamino)methyl]-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]urea
CID 91922986

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride (CID 154897661) is 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride is CCC[C@H]1CN(Cc2ccncc2)C[C@@H]1NC(=O)CN1C(=O)CNC1=O.Cl.Cl.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride?
The InChIKey is PHADVPDMIUURDP-WVFPUEBHSA-N. The full InChI is InChI=1S/C18H25N5O3.2ClH/c1-2-3-14-10-22(9-13-4-6-19-7-5-13)11-15(14)21-16(24)12-23-17(25)8-20-18(23)26;;/h4-7,14-15H,2-3,8-12H2,1H3,(H,20,26)(H,21,24);2*1H/t14-,15-;;/m0../s1.
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride?
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride has a molecular weight of 432.35 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride is sourced from PubChem (CID 154897661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).