4-amino-1-methylpyrrolidin-2-one;4-[(3-bromo-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;2,3-dibromopyridine;4-[(3-ethynyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;ethynyl(trimethyl)silane;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-methylpyrrolidin-2-one;1-methyl-4-pyrrolo[2,3-b]pyridin-1-ylpyrrolidin-2-one;1-methyl-4-[[3-(2-trimethylsilylethynyl)-2-pyridinyl]amino]pyrrolidin-2-one

C76H94Br3IN18O6Si2 — CID 167539413

IUPAC4-amino-1-methylpyrrolidin-2-one;4-[(3-bromo-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;2,3-dibromopyridine;4-[(3-ethynyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;ethynyl(trimethyl)silane;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-methylpyrrolidin-2-one;1-methyl-4-pyrrolo[2,3-b]pyridin-1-ylpyrrolidin-2-one;1-methyl-4-[[3-(2-trimethylsilylethynyl)-2-pyridinyl]amino]pyrrolidin-2-one
SMILESBrc1cccnc1Br.C#C[Si](C)(C)C.C#Cc1cccnc1NC1CC(=O)N(C)C1.CN1CC(N)CC1=O.CN1CC(Nc2ncccc2Br)CC1=O.CN1CC(Nc2ncccc2C#C[Si](C)(C)C)CC1=O.CN1CC(n2cc(I)c3cccnc32)CC1=O.CN1CC(n2ccc3cccnc32)CC1=O
InChIInChI=1S/C15H21N3OSi.C12H12IN3O.2C12H13N3O.C10H12BrN3O.C5H3Br2N.C5H10N2O.C5H10Si/c1-18-11-13(10-14(18)19)17-15-12(6-5-8-16-15)7-9-20(2,3)4;1-15-6-8(5-11(15)17)16-7-10(13)9-3-2-4-14-12(9)16;1-14-8-10(7-11(14)16)15-6-4-9-3-2-5-13-12(9)15;1-3-9-5-4-6-13-12(9)14-10-7-11(16)15(2)8-10;1-14-6-7(5-9(14)15)13-10-8(11)3-2-4-12-10;6-4-2-1-3-8-5(4)7;1-7-3-4(6)2-5(7)8;1-5-6(2,3)4/h5-6,8,13H,10-11H2,1-4H3,(H,16,17);2-4,7-8H,5-6H2,1H3;2-6,10H,7-8H2,1H3;1,4-6,10H,7-8H2,2H3,(H,13,14);2-4,7H,5-6H2,1H3,(H,12,13);1-3H;4H,2-3,6H2,1H3;1H,2-4H3
InChIKeyAZAHGJANXJLQQP-UHFFFAOYSA-N
MW1778.50 g/mol
LogP10.91
Rot. Bonds8

About 4-amino-1-methylpyrrolidin-2-one;4-[(3-bromo-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;2,3-dibromopyridine;4-[(3-ethynyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;ethynyl(trimethyl)silane;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-methylpyrrolidin-2-one;1-methyl-4-pyrrolo[2,3-b]pyridin-1-ylpyrrolidin-2-one;1-methyl-4-[[3-(2-trimethylsilylethynyl)-2-pyridinyl]amino]pyrrolidin-2-one

4-amino-1-methylpyrrolidin-2-one;4-[(3-bromo-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;2,3-dibromopyridine;4-[(3-ethynyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;ethynyl(trimethyl)silane;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-methylpyrrolidin-2-one;1-methyl-4-pyrrolo[2,3-b]pyridin-1-ylpyrrolidin-2-one;1-methyl-4-[[3-(2-trimethylsilylethynyl)-2-pyridinyl]amino]pyrrolidin-2-one (PubChem CID 167539413) has the molecular formula C76H94Br3IN18O6Si2 and a molecular weight of 1778.50 g/mol. Its IUPAC name is 4-amino-1-methylpyrrolidin-2-one;4-[(3-bromo-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;2,3-dibromopyridine;4-[(3-ethynyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;ethynyl(trimethyl)silane;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-methylpyrrolidin-2-one;1-methyl-4-pyrrolo[2,3-b]pyridin-1-ylpyrrolidin-2-one;1-methyl-4-[[3-(2-trimethylsilylethynyl)-2-pyridinyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-methylpyrrolidin-2-one;4-[(3-bromo-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;2,3-dibromopyridine;4-[(3-ethynyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;ethynyl(trimethyl)silane;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-methylpyrrolidin-2-one;1-methyl-4-pyrrolo[2,3-b]pyridin-1-ylpyrrolidin-2-one;1-methyl-4-[[3-(2-trimethylsilylethynyl)-2-pyridinyl]amino]pyrrolidin-2-one
PubChem CID167539413
Molecular FormulaC76H94Br3IN18O6Si2
Molecular Weight1778.50 g/mol
Exact Mass1774.37
IUPAC Name4-amino-1-methylpyrrolidin-2-one;4-[(3-bromo-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;2,3-dibromopyridine;4-[(3-ethynyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;ethynyl(trimethyl)silane;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-methylpyrrolidin-2-one;1-methyl-4-pyrrolo[2,3-b]pyridin-1-ylpyrrolidin-2-one;1-methyl-4-[[3-(2-trimethylsilylethynyl)-2-pyridinyl]amino]pyrrolidin-2-one
SMILESBrc1cccnc1Br.C#C[Si](C)(C)C.C#Cc1cccnc1NC1CC(=O)N(C)C1.CN1CC(N)CC1=O.CN1CC(Nc2ncccc2Br)CC1=O.CN1CC(Nc2ncccc2C#C[Si](C)(C)C)CC1=O.CN1CC(n2cc(I)c3cccnc32)CC1=O.CN1CC(n2ccc3cccnc32)CC1=O
InChIInChI=1S/C15H21N3OSi.C12H12IN3O.2C12H13N3O.C10H12BrN3O.C5H3Br2N.C5H10N2O.C5H10Si/c1-18-11-13(10-14(18)19)17-15-12(6-5-8-16-15)7-9-20(2,3)4;1-15-6-8(5-11(15)17)16-7-10(13)9-3-2-4-14-12(9)16;1-14-8-10(7-11(14)16)15-6-4-9-3-2-5-13-12(9)15;1-3-9-5-4-6-13-12(9)14-10-7-11(16)15(2)8-10;1-14-6-7(5-9(14)15)13-10-8(11)3-2-4-12-10;6-4-2-1-3-8-5(4)7;1-7-3-4(6)2-5(7)8;1-5-6(2,3)4/h5-6,8,13H,10-11H2,1-4H3,(H,16,17);2-4,7-8H,5-6H2,1H3;2-6,10H,7-8H2,1H3;1,4-6,10H,7-8H2,2H3,(H,13,14);2-4,7H,5-6H2,1H3,(H,12,13);1-3H;4H,2-3,6H2,1H3;1H,2-4H3
InChIKeyAZAHGJANXJLQQP-UHFFFAOYSA-N
XLogP10.91
TPSA271.17 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001778.50
LogP ≤ 510.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-amino-1-methylpyrrolidin-2-one;4-[(3-bromo-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;2,3-dibromopyridine;4-[(3-ethynyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;ethynyl(trimethyl)silane;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-methylpyrrolidin-2-one;1-methyl-4-pyrrolo[2,3-b]pyridin-1-ylpyrrolidin-2-one;1-methyl-4-[[3-(2-trimethylsilylethynyl)-2-pyridinyl]amino]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-Bromo-2-pyridinyl)amino]-1-(oxan-4-yl)pyrrolidin-2-one;4-[(3-ethynyl-2-pyridinyl)amino]-1-(oxan-4-yl)pyrrolidin-2-one;ethynyl(trimethyl)silane;1-(oxan-4-yl)-4-pyrrolo[2,3-b]pyridin-1-ylpyrrolidin-2-one;1-(oxan-4-yl)-4-[[3-(2-trimethylsilylethynyl)-2-pyridinyl]amino]pyrrolidin-2-one
CID 157536608
N-(5-bromo-3-iodo-2-pyridinyl)acetamide;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-bromopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[5-bromo-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide
CID 158748492
3-bromo-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;3-bromo-1-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;2,3-dibromopyridine;3-ethynyl-N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridin-2-amine;ethynyl(trimethyl)silane;(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-amine;1-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyrrolo[2,3-b]pyridine;N-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-(2-trimethylsilylethynyl)pyridin-2-amine;hydrochloride
CID 159312380
N-(5-bromo-3-iodo-2-pyridinyl)acetamide;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-bromopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[5-bromo-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide;methane
CID 160863106
5-bromo-3-iodopyridin-2-amine;N-(5-bromo-3-iodo-2-pyridinyl)acetamide;5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine;5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;5-bromopyridin-2-amine;5-bromo-1H-pyrrolo[2,3-b]pyridine;N-[5-bromo-3-(2-trimethylsilylethynyl)-2-pyridinyl]acetamide;3,5-dimethyl-1H-pyrrolo[2,3-b]pyridine;3-iodo-5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 161221217
4-Amino-1-methylpyrrolidin-2-one;4-[(3-bromo-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;2,3-dibromopyridine;4-[(3-ethynyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;ethynyl(trimethyl)silane;1-methyl-4-pyrrolo[2,3-b]pyridin-1-ylpyrrolidin-2-one;1-methyl-4-[[3-(2-trimethylsilylethynyl)-2-pyridinyl]amino]pyrrolidin-2-one
CID 161457344

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylpyrrolidin-2-one;4-[(3-bromo-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;2,3-dibromopyridine;4-[(3-ethynyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;ethynyl(trimethyl)silane;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-methylpyrrolidin-2-one;1-methyl-4-pyrrolo[2,3-b]pyridin-1-ylpyrrolidin-2-one;1-methyl-4-[[3-(2-trimethylsilylethynyl)-2-pyridinyl]amino]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-methylpyrrolidin-2-one;4-[(3-bromo-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;2,3-dibromopyridine;4-[(3-ethynyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;ethynyl(trimethyl)silane;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-methylpyrrolidin-2-one;1-methyl-4-pyrrolo[2,3-b]pyridin-1-ylpyrrolidin-2-one;1-methyl-4-[[3-(2-trimethylsilylethynyl)-2-pyridinyl]amino]pyrrolidin-2-one (CID 167539413) is 4-amino-1-methylpyrrolidin-2-one;4-[(3-bromo-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;2,3-dibromopyridine;4-[(3-ethynyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;ethynyl(trimethyl)silane;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-methylpyrrolidin-2-one;1-methyl-4-pyrrolo[2,3-b]pyridin-1-ylpyrrolidin-2-one;1-methyl-4-[[3-(2-trimethylsilylethynyl)-2-pyridinyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-methylpyrrolidin-2-one;4-[(3-bromo-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;2,3-dibromopyridine;4-[(3-ethynyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;ethynyl(trimethyl)silane;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-methylpyrrolidin-2-one;1-methyl-4-pyrrolo[2,3-b]pyridin-1-ylpyrrolidin-2-one;1-methyl-4-[[3-(2-trimethylsilylethynyl)-2-pyridinyl]amino]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-methylpyrrolidin-2-one;4-[(3-bromo-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;2,3-dibromopyridine;4-[(3-ethynyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;ethynyl(trimethyl)silane;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-methylpyrrolidin-2-one;1-methyl-4-pyrrolo[2,3-b]pyridin-1-ylpyrrolidin-2-one;1-methyl-4-[[3-(2-trimethylsilylethynyl)-2-pyridinyl]amino]pyrrolidin-2-one is Brc1cccnc1Br.C#C[Si](C)(C)C.C#Cc1cccnc1NC1CC(=O)N(C)C1.CN1CC(N)CC1=O.CN1CC(Nc2ncccc2Br)CC1=O.CN1CC(Nc2ncccc2C#C[Si](C)(C)C)CC1=O.CN1CC(n2cc(I)c3cccnc32)CC1=O.CN1CC(n2ccc3cccnc32)CC1=O.
What is the InChIKey of 4-amino-1-methylpyrrolidin-2-one;4-[(3-bromo-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;2,3-dibromopyridine;4-[(3-ethynyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;ethynyl(trimethyl)silane;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-methylpyrrolidin-2-one;1-methyl-4-pyrrolo[2,3-b]pyridin-1-ylpyrrolidin-2-one;1-methyl-4-[[3-(2-trimethylsilylethynyl)-2-pyridinyl]amino]pyrrolidin-2-one?
The InChIKey is AZAHGJANXJLQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OSi.C12H12IN3O.2C12H13N3O.C10H12BrN3O.C5H3Br2N.C5H10N2O.C5H10Si/c1-18-11-13(10-14(18)19)17-15-12(6-5-8-16-15)7-9-20(2,3)4;1-15-6-8(5-11(15)17)16-7-10(13)9-3-2-4-14-12(9)16;1-14-8-10(7-11(14)16)15-6-4-9-3-2-5-13-12(9)15;1-3-9-5-4-6-13-12(9)14-10-7-11(16)15(2)8-10;1-14-6-7(5-9(14)15)13-10-8(11)3-2-4-12-10;6-4-2-1-3-8-5(4)7;1-7-3-4(6)2-5(7)8;1-5-6(2,3)4/h5-6,8,13H,10-11H2,1-4H3,(H,16,17);2-4,7-8H,5-6H2,1H3;2-6,10H,7-8H2,1H3;1,4-6,10H,7-8H2,2H3,(H,13,14);2-4,7H,5-6H2,1H3,(H,12,13);1-3H;4H,2-3,6H2,1H3;1H,2-4H3.
What are the key properties of 4-amino-1-methylpyrrolidin-2-one;4-[(3-bromo-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;2,3-dibromopyridine;4-[(3-ethynyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;ethynyl(trimethyl)silane;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-methylpyrrolidin-2-one;1-methyl-4-pyrrolo[2,3-b]pyridin-1-ylpyrrolidin-2-one;1-methyl-4-[[3-(2-trimethylsilylethynyl)-2-pyridinyl]amino]pyrrolidin-2-one?
4-amino-1-methylpyrrolidin-2-one;4-[(3-bromo-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;2,3-dibromopyridine;4-[(3-ethynyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;ethynyl(trimethyl)silane;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-methylpyrrolidin-2-one;1-methyl-4-pyrrolo[2,3-b]pyridin-1-ylpyrrolidin-2-one;1-methyl-4-[[3-(2-trimethylsilylethynyl)-2-pyridinyl]amino]pyrrolidin-2-one has a molecular weight of 1778.50 g/mol, XLogP of 10.91, 8 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpyrrolidin-2-one;4-[(3-bromo-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;2,3-dibromopyridine;4-[(3-ethynyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one;ethynyl(trimethyl)silane;4-(3-iodopyrrolo[2,3-b]pyridin-1-yl)-1-methylpyrrolidin-2-one;1-methyl-4-pyrrolo[2,3-b]pyridin-1-ylpyrrolidin-2-one;1-methyl-4-[[3-(2-trimethylsilylethynyl)-2-pyridinyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 167539413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).