N-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)acetamide

C11H13N3O — CID 19703067

IUPACN-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)acetamide
SMILESCC(=O)NCCn1ccc2cccnc21
InChIInChI=1S/C11H13N3O/c1-9(15)12-6-8-14-7-4-10-3-2-5-13-11(10)14/h2-5,7H,6,8H2,1H3,(H,12,15)
InChIKeyKIFSTMDEBSSMOS-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.17
Rot. Bonds3

About N-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)acetamide

N-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)acetamide (PubChem CID 19703067) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)acetamide
PubChem CID19703067
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)acetamide
SMILESCC(=O)NCCn1ccc2cccnc21
InChIInChI=1S/C11H13N3O/c1-9(15)12-6-8-14-7-4-10-3-2-5-13-11(10)14/h2-5,7H,6,8H2,1H3,(H,12,15)
InChIKeyKIFSTMDEBSSMOS-UHFFFAOYSA-N
XLogP1.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)acetamide?
The IUPAC name of N-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)acetamide (CID 19703067) is N-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)acetamide.
What is the SMILES notation for N-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)acetamide?
The canonical SMILES for N-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)acetamide is CC(=O)NCCn1ccc2cccnc21.
What is the InChIKey of N-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)acetamide?
The InChIKey is KIFSTMDEBSSMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-9(15)12-6-8-14-7-4-10-3-2-5-13-11(10)14/h2-5,7H,6,8H2,1H3,(H,12,15).
What are the key properties of N-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)acetamide?
N-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)acetamide has a molecular weight of 203.25 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolo[2,3-b]pyridin-1-ylethyl)acetamide is sourced from PubChem (CID 19703067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).