4-amino-5-(5-bromo-3-pyridinyl)-1-propan-2-ylpyrrolidin-2-one

C12H16BrN3O — CID 113469903

IUPAC4-amino-5-(5-bromo-3-pyridinyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C(=O)CC(N)C1c1cncc(Br)c1
InChIInChI=1S/C12H16BrN3O/c1-7(2)16-11(17)4-10(14)12(16)8-3-9(13)6-15-5-8/h3,5-7,10,12H,4,14H2,1-2H3
InChIKeyRTDCWVGFLOFRHE-UHFFFAOYSA-N
MW298.18 g/mol
LogP1.85
Rot. Bonds2

About 4-amino-5-(5-bromo-3-pyridinyl)-1-propan-2-ylpyrrolidin-2-one

4-amino-5-(5-bromo-3-pyridinyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 113469903) has the molecular formula C12H16BrN3O and a molecular weight of 298.18 g/mol. Its IUPAC name is 4-amino-5-(5-bromo-3-pyridinyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-5-(5-bromo-3-pyridinyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID113469903
Molecular FormulaC12H16BrN3O
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name4-amino-5-(5-bromo-3-pyridinyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C(=O)CC(N)C1c1cncc(Br)c1
InChIInChI=1S/C12H16BrN3O/c1-7(2)16-11(17)4-10(14)12(16)8-3-9(13)6-15-5-8/h3,5-7,10,12H,4,14H2,1-2H3
InChIKeyRTDCWVGFLOFRHE-UHFFFAOYSA-N
XLogP1.85
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-5-(5-bromo-3-pyridinyl)-1-propan-2-ylpyrrolidin-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

(4R,5S)-4-amino-1-propan-2-yl-5-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
CID 178196683
4-amino-1-propan-2-yl-5-(1-propylpyrazol-4-yl)pyrrolidin-2-one
CID 103573251
(4R,5R)-4-amino-5-(4-chloro-3-fluorophenyl)-1-propan-2-ylpyrrolidin-2-one
CID 95359014
(4R,5S)-4-amino-5-(3-methoxyphenyl)-1-propan-2-ylpyrrolidin-2-one
CID 178192247
4-amino-5-(5-chloro-1-methylimidazol-2-yl)-1-propan-2-ylpyrrolidin-2-one
CID 114239529
(4R,5S)-4-amino-5-(1,5-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one
CID 178196676
[2-(5-bromo-3-pyridinyl)-1-propan-2-ylpiperidin-3-yl]methanamine
CID 113469892
(4R,5R)-4-amino-5-(2-methyl-1,3-thiazol-4-yl)-1-propan-2-ylpyrrolidin-2-one
CID 178196647
4-amino-5-(1,3-dimethylpyrazol-4-yl)-1-propan-2-ylpyrrolidin-2-one
CID 83094235
(4R,5R)-4-amino-5-(2-ethylpyrazol-3-yl)-1-propan-2-ylpyrrolidin-2-one
CID 178196634
4-amino-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one
CID 83688621
3-(5-bromo-3-pyridinyl)-2-methylcyclobutan-1-one
CID 164657608

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(5-bromo-3-pyridinyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-amino-5-(5-bromo-3-pyridinyl)-1-propan-2-ylpyrrolidin-2-one (CID 113469903) is 4-amino-5-(5-bromo-3-pyridinyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-amino-5-(5-bromo-3-pyridinyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-amino-5-(5-bromo-3-pyridinyl)-1-propan-2-ylpyrrolidin-2-one is CC(C)N1C(=O)CC(N)C1c1cncc(Br)c1.
What is the InChIKey of 4-amino-5-(5-bromo-3-pyridinyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is RTDCWVGFLOFRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O/c1-7(2)16-11(17)4-10(14)12(16)8-3-9(13)6-15-5-8/h3,5-7,10,12H,4,14H2,1-2H3.
What are the key properties of 4-amino-5-(5-bromo-3-pyridinyl)-1-propan-2-ylpyrrolidin-2-one?
4-amino-5-(5-bromo-3-pyridinyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 298.18 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(5-bromo-3-pyridinyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 113469903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).