N-[(3S,4R)-4-cyclopropyl-1-pyrazin-2-ylpyrrolidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C17H22N6O3 — CID 133116759

IUPACN-[(3S,4R)-4-cyclopropyl-1-pyrazin-2-ylpyrrolidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)N[C@@H]2CN(c3cnccn3)C[C@H]2C2CC2)C1=O
InChIInChI=1S/C17H22N6O3/c1-21-10-16(25)23(17(21)26)9-15(24)20-13-8-22(7-12(13)11-2-3-11)14-6-18-4-5-19-14/h4-6,11-13H,2-3,7-10H2,1H3,(H,20,24)/t12-,13+/m0/s1
InChIKeyHBSHBYMOSNEMHV-QWHCGFSZSA-N
MW358.40 g/mol
LogP-0.30
Rot. Bonds5

About N-[(3S,4R)-4-cyclopropyl-1-pyrazin-2-ylpyrrolidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-[(3S,4R)-4-cyclopropyl-1-pyrazin-2-ylpyrrolidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 133116759) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[(3S,4R)-4-cyclopropyl-1-pyrazin-2-ylpyrrolidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-cyclopropyl-1-pyrazin-2-ylpyrrolidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID133116759
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC NameN-[(3S,4R)-4-cyclopropyl-1-pyrazin-2-ylpyrrolidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCN1CC(=O)N(CC(=O)N[C@@H]2CN(c3cnccn3)C[C@H]2C2CC2)C1=O
InChIInChI=1S/C17H22N6O3/c1-21-10-16(25)23(17(21)26)9-15(24)20-13-8-22(7-12(13)11-2-3-11)14-6-18-4-5-19-14/h4-6,11-13H,2-3,7-10H2,1H3,(H,20,24)/t12-,13+/m0/s1
InChIKeyHBSHBYMOSNEMHV-QWHCGFSZSA-N
XLogP-0.30
TPSA98.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64814335
2-(2-oxopyrrolidin-1-yl)-N-[(3R,4S)-4-propyl-1-pyrazin-2-ylpyrrolidin-3-yl]acetamide
CID 72901641
2-(2,5-dioxoimidazolidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 77096885
N-[(3R,4S)-4-cyclopropyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide
CID 72908454
N-[2-(aminomethyl)cyclohexyl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide;hydrochloride
CID 119610019
2-(2-oxoazepan-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 118782684
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide
CID 90653061
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 119064670
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 115593436
tert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate
CID 66570422
N-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
CID 99981987
1-[(3aS,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-3-methylbutan-1-one
CID 125222291

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-pyrazin-2-ylpyrrolidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(3S,4R)-4-cyclopropyl-1-pyrazin-2-ylpyrrolidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 133116759) is N-[(3S,4R)-4-cyclopropyl-1-pyrazin-2-ylpyrrolidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(3S,4R)-4-cyclopropyl-1-pyrazin-2-ylpyrrolidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(3S,4R)-4-cyclopropyl-1-pyrazin-2-ylpyrrolidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CN1CC(=O)N(CC(=O)N[C@@H]2CN(c3cnccn3)C[C@H]2C2CC2)C1=O.
What is the InChIKey of N-[(3S,4R)-4-cyclopropyl-1-pyrazin-2-ylpyrrolidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is HBSHBYMOSNEMHV-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-21-10-16(25)23(17(21)26)9-15(24)20-13-8-22(7-12(13)11-2-3-11)14-6-18-4-5-19-14/h4-6,11-13H,2-3,7-10H2,1H3,(H,20,24)/t12-,13+/m0/s1.
What are the key properties of N-[(3S,4R)-4-cyclopropyl-1-pyrazin-2-ylpyrrolidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-[(3S,4R)-4-cyclopropyl-1-pyrazin-2-ylpyrrolidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 358.40 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-cyclopropyl-1-pyrazin-2-ylpyrrolidin-3-yl]-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 133116759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).