2-[(3R,4R)-4-benzyl-1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide

C60H60N12O9 — CID 158776501

IUPAC2-[(3R,4R)-4-benzyl-1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide
SMILESCc1ccc(N2C[C@H](C(=O)C(=O)NC3CC3)[C@@H](Cc3ccccc3)C2=O)nn1.O=C(NC1CC1)C(=O)[C@H]1CN(c2ccncn2)C(=O)[C@@H]1Cc1ccccc1.O=C(NC1CC1)C(=O)[C@H]1CN(c2cncnc2)C(=O)[C@@H]1c1ccccc1
InChIInChI=1S/C21H22N4O3.C20H20N4O3.C19H18N4O3/c1-13-7-10-18(24-23-13)25-12-17(19(26)20(27)22-15-8-9-15)16(21(25)28)11-14-5-3-2-4-6-14;25-18(19(26)23-14-6-7-14)16-11-24(17-8-9-21-12-22-17)20(27)15(16)10-13-4-2-1-3-5-13;24-17(18(25)22-13-6-7-13)15-10-23(14-8-20-11-21-9-14)19(26)16(15)12-4-2-1-3-5-12/h2-7,10,15-17H,8-9,11-12H2,1H3,(H,22,27);1-5,8-9,12,14-16H,6-7,10-11H2,(H,23,26);1-5,8-9,11,13,15-16H,6-7,10H2,(H,22,25)/t16-,17+;2*15-,16+/m110/s1
InChIKeyIQNOHVWAWLYTOI-IQRVUBMSSA-N
MW1093.21 g/mol
LogP3.67
Rot. Bonds17

About 2-[(3R,4R)-4-benzyl-1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide

2-[(3R,4R)-4-benzyl-1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide (PubChem CID 158776501) has the molecular formula C60H60N12O9 and a molecular weight of 1093.21 g/mol. Its IUPAC name is 2-[(3R,4R)-4-benzyl-1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3R,4R)-4-benzyl-1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide
PubChem CID158776501
Molecular FormulaC60H60N12O9
Molecular Weight1093.21 g/mol
Exact Mass1092.46
IUPAC Name2-[(3R,4R)-4-benzyl-1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide
SMILESCc1ccc(N2C[C@H](C(=O)C(=O)NC3CC3)[C@@H](Cc3ccccc3)C2=O)nn1.O=C(NC1CC1)C(=O)[C@H]1CN(c2ccncn2)C(=O)[C@@H]1Cc1ccccc1.O=C(NC1CC1)C(=O)[C@H]1CN(c2cncnc2)C(=O)[C@@H]1c1ccccc1
InChIInChI=1S/C21H22N4O3.C20H20N4O3.C19H18N4O3/c1-13-7-10-18(24-23-13)25-12-17(19(26)20(27)22-15-8-9-15)16(21(25)28)11-14-5-3-2-4-6-14;25-18(19(26)23-14-6-7-14)16-11-24(17-8-9-21-12-22-17)20(27)15(16)10-13-4-2-1-3-5-13;24-17(18(25)22-13-6-7-13)15-10-23(14-8-20-11-21-9-14)19(26)16(15)12-4-2-1-3-5-12/h2-7,10,15-17H,8-9,11-12H2,1H3,(H,22,27);1-5,8-9,12,14-16H,6-7,10-11H2,(H,23,26);1-5,8-9,11,13,15-16H,6-7,10H2,(H,22,25)/t16-,17+;2*15-,16+/m110/s1
InChIKeyIQNOHVWAWLYTOI-IQRVUBMSSA-N
XLogP3.67
TPSA276.78 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001093.21
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-[(3R,4R)-4-benzyl-1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-benzyl-1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[(3R,4R)-4-benzyl-1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide (CID 158776501) is 2-[(3R,4R)-4-benzyl-1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3R,4R)-4-benzyl-1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[(3R,4R)-4-benzyl-1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide is Cc1ccc(N2C[C@H](C(=O)C(=O)NC3CC3)[C@@H](Cc3ccccc3)C2=O)nn1.O=C(NC1CC1)C(=O)[C@H]1CN(c2ccncn2)C(=O)[C@@H]1Cc1ccccc1.O=C(NC1CC1)C(=O)[C@H]1CN(c2cncnc2)C(=O)[C@@H]1c1ccccc1.
What is the InChIKey of 2-[(3R,4R)-4-benzyl-1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide?
The InChIKey is IQNOHVWAWLYTOI-IQRVUBMSSA-N. The full InChI is InChI=1S/C21H22N4O3.C20H20N4O3.C19H18N4O3/c1-13-7-10-18(24-23-13)25-12-17(19(26)20(27)22-15-8-9-15)16(21(25)28)11-14-5-3-2-4-6-14;25-18(19(26)23-14-6-7-14)16-11-24(17-8-9-21-12-22-17)20(27)15(16)10-13-4-2-1-3-5-13;24-17(18(25)22-13-6-7-13)15-10-23(14-8-20-11-21-9-14)19(26)16(15)12-4-2-1-3-5-12/h2-7,10,15-17H,8-9,11-12H2,1H3,(H,22,27);1-5,8-9,12,14-16H,6-7,10-11H2,(H,23,26);1-5,8-9,11,13,15-16H,6-7,10H2,(H,22,25)/t16-,17+;2*15-,16+/m110/s1.
What are the key properties of 2-[(3R,4R)-4-benzyl-1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide?
2-[(3R,4R)-4-benzyl-1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide has a molecular weight of 1093.21 g/mol, XLogP of 3.67, 17 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-benzyl-1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxo-1-pyrimidin-4-ylpyrrolidin-3-yl]-N-cyclopropyl-2-oxoacetamide;N-cyclopropyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenyl-1-pyrimidin-5-ylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 158776501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).