N-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanamide

C11H12BrN3O — CID 141399732

IUPACN-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C11H12BrN3O/c1-6(2)11(16)15-9-5-14-10-8(9)3-7(12)4-13-10/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyGXGBCXCJIJFROL-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.92
Rot. Bonds2

About N-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanamide

N-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanamide (PubChem CID 141399732) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is N-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanamide
PubChem CID141399732
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC NameN-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C11H12BrN3O/c1-6(2)11(16)15-9-5-14-10-8(9)3-7(12)4-13-10/h3-6H,1-2H3,(H,13,14)(H,15,16)
InChIKeyGXGBCXCJIJFROL-UHFFFAOYSA-N
XLogP2.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;ethane
CID 153389354
methyl 2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-oxoacetate
CID 73013620
5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
CID 145223715
5-bromo-3-butan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 139023960
1,5-dibromo-2,4-bis(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)pentan-3-one
CID 151661329
2-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)propan-2-ol
CID 167028485
N-(5-bromo-2-pyridinyl)-2-methylpropanamide
CID 14988412
1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)octan-1-one
CID 106884870
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dichlorophenyl)methanone
CID 58086013
5-bromo-N,N-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-sulfinamide
CID 144889171
(3-amino-5-bromo-2-methylphenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 107874228
(2-bromo-3-fluorophenyl)-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 106884836

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanamide?
The IUPAC name of N-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanamide (CID 141399732) is N-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanamide.
What is the SMILES notation for N-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanamide?
The canonical SMILES for N-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanamide is CC(C)C(=O)Nc1c[nH]c2ncc(Br)cc12.
What is the InChIKey of N-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanamide?
The InChIKey is GXGBCXCJIJFROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-6(2)11(16)15-9-5-14-10-8(9)3-7(12)4-13-10/h3-6H,1-2H3,(H,13,14)(H,15,16).
What are the key properties of N-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanamide?
N-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanamide has a molecular weight of 282.14 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-methylpropanamide is sourced from PubChem (CID 141399732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).