2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-N-ethylpropanamide

C11H14BrN5O — CID 79306274

IUPAC2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1c(N)nc2cc(Br)cnc21
InChIInChI=1S/C11H14BrN5O/c1-3-14-10(18)6(2)17-9-8(16-11(17)13)4-7(12)5-15-9/h4-6H,3H2,1-2H3,(H2,13,16)(H,14,18)
InChIKeyWOFWGPVCGYPQSS-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.47
Rot. Bonds3

About 2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-N-ethylpropanamide

2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-N-ethylpropanamide (PubChem CID 79306274) has the molecular formula C11H14BrN5O and a molecular weight of 312.17 g/mol. Its IUPAC name is 2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-N-ethylpropanamide
PubChem CID79306274
Molecular FormulaC11H14BrN5O
Molecular Weight312.17 g/mol
Exact Mass311.04
IUPAC Name2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)n1c(N)nc2cc(Br)cnc21
InChIInChI=1S/C11H14BrN5O/c1-3-14-10(18)6(2)17-9-8(16-11(17)13)4-7(12)5-15-9/h4-6H,3H2,1-2H3,(H2,13,16)(H,14,18)
InChIKeyWOFWGPVCGYPQSS-UHFFFAOYSA-N
XLogP1.47
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-N-ethylpropanamide?
The IUPAC name of 2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-N-ethylpropanamide (CID 79306274) is 2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-N-ethylpropanamide.
What is the SMILES notation for 2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-N-ethylpropanamide?
The canonical SMILES for 2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-N-ethylpropanamide is CCNC(=O)C(C)n1c(N)nc2cc(Br)cnc21.
What is the InChIKey of 2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-N-ethylpropanamide?
The InChIKey is WOFWGPVCGYPQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O/c1-3-14-10(18)6(2)17-9-8(16-11(17)13)4-7(12)5-15-9/h4-6H,3H2,1-2H3,(H2,13,16)(H,14,18).
What are the key properties of 2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-N-ethylpropanamide?
2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-N-ethylpropanamide has a molecular weight of 312.17 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-N-ethylpropanamide is sourced from PubChem (CID 79306274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).