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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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).