5-bromo-N-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide

C11H12BrN3O — CID 145183128

IUPAC5-bromo-N-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCNC(=O)c1cn(C)c2ncc(Br)cc12
InChIInChI=1S/C11H12BrN3O/c1-3-13-11(16)9-6-15(2)10-8(9)4-7(12)5-14-10/h4-6H,3H2,1-2H3,(H,13,16)
InChIKeyAODQPXJKBCQAEE-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.09
Rot. Bonds2

About 5-bromo-N-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide

5-bromo-N-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 145183128) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 5-bromo-N-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID145183128
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name5-bromo-N-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCCNC(=O)c1cn(C)c2ncc(Br)cc12
InChIInChI=1S/C11H12BrN3O/c1-3-13-11(16)9-6-15(2)10-8(9)4-7(12)5-14-10/h4-6H,3H2,1-2H3,(H,13,16)
InChIKeyAODQPXJKBCQAEE-UHFFFAOYSA-N
XLogP2.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetamido-1-methyl-N-propylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 11288823
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
5-acetamido-N-(2-ethoxyethyl)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 11220436
tert-butyl 6-bromo-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 163253778
5-bromo-3-chloro-N-ethylpyridine-2-carboxamide
CID 155923575
5-bromo-N-(2-methoxyethyl)-1-methylindole-3-carboxamide
CID 172654547
N-benzyl-5-(methanesulfonamido)-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 11462489
ethyl 5-bromo-1-fluorosulfanylpyrrolo[2,3-b]pyridine-3-carboxylate
CID 153403522
4-bromo-1-N,2-N-diethylbenzene-1,2-dicarboxamide
CID 119013862
5-(methanesulfonamido)-1-methyl-N-propan-2-ylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 11174361
1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 73014138
5-bromo-N-(oxetan-3-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 175983804

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 145183128) is 5-bromo-N-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide is CCNC(=O)c1cn(C)c2ncc(Br)cc12.
What is the InChIKey of 5-bromo-N-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is AODQPXJKBCQAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c1-3-13-11(16)9-6-15(2)10-8(9)4-7(12)5-14-10/h4-6H,3H2,1-2H3,(H,13,16).
What are the key properties of 5-bromo-N-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide?
5-bromo-N-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 282.14 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 145183128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).