5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C19H25N5O3 — CID 121437856

IUPAC5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cccnc1
InChIInChI=1S/C19H25N5O3/c1-13-12-23(9-10-24(13)15-3-2-8-20-11-15)16(25)6-7-19(14-4-5-14)17(26)21-18(27)22-19/h2-3,8,11,13-14H,4-7,9-10,12H2,1H3,(H2,21,22,26,27)/t13-,19?/m0/s1
InChIKeyMWNUOLJFHXUUBS-YTJLLHSVSA-N
MW371.44 g/mol
LogP0.89
Rot. Bonds5

About 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 121437856) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID121437856
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESC[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cccnc1
InChIInChI=1S/C19H25N5O3/c1-13-12-23(9-10-24(13)15-3-2-8-20-11-15)16(25)6-7-19(14-4-5-14)17(26)21-18(27)22-19/h2-3,8,11,13-14H,4-7,9-10,12H2,1H3,(H2,21,22,26,27)/t13-,19?/m0/s1
InChIKeyMWNUOLJFHXUUBS-YTJLLHSVSA-N
XLogP0.89
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.89
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

(2S)-1-methyl-N-[(1S)-1-[4-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]phenyl]ethyl]pyrrolidine-2-carboxamide
CID 145964467
3,5-Dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene-4,6-dione
CID 44457469
3,5-Dimethyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene-4,6-dione
CID 44457473
(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-3,3-dimethyl-2-[[1-(pyridin-2-ylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 46865648
(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-3,3-dimethyl-2-[[1-(pyridin-3-ylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 46885452
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 121437804
2-Cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
CID 162625310
N~2~-[(4-methylcyclohexyl)carbonyl]-N-pyridin-3-ylleucinamide
CID 3236151
2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)-N-pyridin-3-ylpropanamide
CID 3240908
(2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-methyl-5-oxo-3-pyridin-3-ylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 10550428
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 16293491
N-[(3R)-6-isopropyl-2-oxoazepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 23656752

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 121437856) is 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is C[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cccnc1.
What is the InChIKey of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is MWNUOLJFHXUUBS-YTJLLHSVSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-13-12-23(9-10-24(13)15-3-2-8-20-11-15)16(25)6-7-19(14-4-5-14)17(26)21-18(27)22-19/h2-3,8,11,13-14H,4-7,9-10,12H2,1H3,(H2,21,22,26,27)/t13-,19?/m0/s1.
What are the key properties of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 371.44 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyridin-3-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121437856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).