3-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one

C11H14BrN3O — CID 103858137

IUPAC3-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one
SMILESCc1cc(NC2CCN(C)C2=O)ncc1Br
InChIInChI=1S/C11H14BrN3O/c1-7-5-10(13-6-8(7)12)14-9-3-4-15(2)11(9)16/h5-6,9H,3-4H2,1-2H3,(H,13,14)
InChIKeyWOYRALFLLOEBSM-UHFFFAOYSA-N
MW284.16 g/mol
LogP1.80
Rot. Bonds2

About 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one

3-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one (PubChem CID 103858137) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one
PubChem CID103858137
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name3-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one
SMILESCc1cc(NC2CCN(C)C2=O)ncc1Br
InChIInChI=1S/C11H14BrN3O/c1-7-5-10(13-6-8(7)12)14-9-3-4-15(2)11(9)16/h5-6,9H,3-4H2,1-2H3,(H,13,14)
InChIKeyWOYRALFLLOEBSM-UHFFFAOYSA-N
XLogP1.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromo-4,6-dimethylanilino)-1-methylpyrrolidin-2-one
CID 81495857
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 114165256
1-methyl-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 104891772
(3R)-3-(5-bromo-2,4-difluoroanilino)-1-methylpyrrolidin-2-one
CID 99824677
4-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 114869071
7-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106258476
2-amino-5-bromo-N-(1-methyl-2-oxopyrrolidin-3-yl)pyridine-4-carboxamide
CID 114194096
5-bromo-N-(2,3-dimethylcyclopentyl)-4-methylpyridin-2-amine
CID 114869307
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 106258583
5-bromo-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 114869240
1-(4-chlorophenyl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]pyrrolidin-2-one
CID 133340094
2-N-(5-bromo-4-methyl-2-pyridinyl)cyclohexane-1,2-diamine
CID 114869475

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one (CID 103858137) is 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one is Cc1cc(NC2CCN(C)C2=O)ncc1Br.
What is the InChIKey of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one?
The InChIKey is WOYRALFLLOEBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-7-5-10(13-6-8(7)12)14-9-3-4-15(2)11(9)16/h5-6,9H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one?
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one has a molecular weight of 284.16 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 103858137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).