N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]propanamide

C13H17N3O2 — CID 52918078

IUPACN-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCn1ccc2ccc(OC)nc21
InChIInChI=1S/C13H17N3O2/c1-3-11(17)14-7-9-16-8-6-10-4-5-12(18-2)15-13(10)16/h4-6,8H,3,7,9H2,1-2H3,(H,14,17)
InChIKeyRQDRQFOSIGORHM-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.57
Rot. Bonds5

About N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]propanamide

N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]propanamide (PubChem CID 52918078) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]propanamide
PubChem CID52918078
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]propanamide
SMILESCCC(=O)NCCn1ccc2ccc(OC)nc21
InChIInChI=1S/C13H17N3O2/c1-3-11(17)14-7-9-16-8-6-10-4-5-12(18-2)15-13(10)16/h4-6,8H,3,7,9H2,1-2H3,(H,14,17)
InChIKeyRQDRQFOSIGORHM-UHFFFAOYSA-N
XLogP1.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]propanamide?
The IUPAC name of N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]propanamide (CID 52918078) is N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]propanamide is CCC(=O)NCCn1ccc2ccc(OC)nc21.
What is the InChIKey of N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]propanamide?
The InChIKey is RQDRQFOSIGORHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-11(17)14-7-9-16-8-6-10-4-5-12(18-2)15-13(10)16/h4-6,8H,3,7,9H2,1-2H3,(H,14,17).
What are the key properties of N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]propanamide?
N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]propanamide has a molecular weight of 247.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methoxypyrrolo[2,3-b]pyridin-1-yl)ethyl]propanamide is sourced from PubChem (CID 52918078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).