N-(4-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)-2-propan-2-yloxyacetamide

C12H14BrN3O2 — CID 126832539

IUPACN-(4-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1ncc2[nH]ccc2c1Br
InChIInChI=1S/C12H14BrN3O2/c1-7(2)18-6-10(17)16-12-11(13)8-3-4-14-9(8)5-15-12/h3-5,7,14H,6H2,1-2H3,(H,15,16,17)
InChIKeySIUMROSWZOUXQH-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.69
Rot. Bonds4

About N-(4-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)-2-propan-2-yloxyacetamide

N-(4-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)-2-propan-2-yloxyacetamide (PubChem CID 126832539) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is N-(4-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)-2-propan-2-yloxyacetamide.

Molecular Properties

Compound NameN-(4-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)-2-propan-2-yloxyacetamide
PubChem CID126832539
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC NameN-(4-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)-2-propan-2-yloxyacetamide
SMILESCC(C)OCC(=O)Nc1ncc2[nH]ccc2c1Br
InChIInChI=1S/C12H14BrN3O2/c1-7(2)18-6-10(17)16-12-11(13)8-3-4-14-9(8)5-15-12/h3-5,7,14H,6H2,1-2H3,(H,15,16,17)
InChIKeySIUMROSWZOUXQH-UHFFFAOYSA-N
XLogP2.69
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)-2-propan-2-yloxyacetamide?
The IUPAC name of N-(4-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)-2-propan-2-yloxyacetamide (CID 126832539) is N-(4-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)-2-propan-2-yloxyacetamide.
What is the SMILES notation for N-(4-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)-2-propan-2-yloxyacetamide?
The canonical SMILES for N-(4-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)-2-propan-2-yloxyacetamide is CC(C)OCC(=O)Nc1ncc2[nH]ccc2c1Br.
What is the InChIKey of N-(4-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)-2-propan-2-yloxyacetamide?
The InChIKey is SIUMROSWZOUXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-7(2)18-6-10(17)16-12-11(13)8-3-4-14-9(8)5-15-12/h3-5,7,14H,6H2,1-2H3,(H,15,16,17).
What are the key properties of N-(4-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)-2-propan-2-yloxyacetamide?
N-(4-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)-2-propan-2-yloxyacetamide has a molecular weight of 312.17 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1H-pyrrolo[2,3-c]pyridin-5-yl)-2-propan-2-yloxyacetamide is sourced from PubChem (CID 126832539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).