[1-ethyl-3-[2-(methylamino)ethyl]pyrrolo[2,3-b]pyridin-4-yl] acetate

C14H19N3O2 — CID 167469253

IUPAC[1-ethyl-3-[2-(methylamino)ethyl]pyrrolo[2,3-b]pyridin-4-yl] acetate
SMILESCCn1cc(CCNC)c2c(OC(C)=O)ccnc21
InChIInChI=1S/C14H19N3O2/c1-4-17-9-11(5-7-15-3)13-12(19-10(2)18)6-8-16-14(13)17/h6,8-9,15H,4-5,7H2,1-3H3
InChIKeyOBJXABJRHSVTQK-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.74
Rot. Bonds5

About [1-ethyl-3-[2-(methylamino)ethyl]pyrrolo[2,3-b]pyridin-4-yl] acetate

[1-ethyl-3-[2-(methylamino)ethyl]pyrrolo[2,3-b]pyridin-4-yl] acetate (PubChem CID 167469253) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [1-ethyl-3-[2-(methylamino)ethyl]pyrrolo[2,3-b]pyridin-4-yl] acetate.

Molecular Properties

Compound Name[1-ethyl-3-[2-(methylamino)ethyl]pyrrolo[2,3-b]pyridin-4-yl] acetate
PubChem CID167469253
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[1-ethyl-3-[2-(methylamino)ethyl]pyrrolo[2,3-b]pyridin-4-yl] acetate
SMILESCCn1cc(CCNC)c2c(OC(C)=O)ccnc21
InChIInChI=1S/C14H19N3O2/c1-4-17-9-11(5-7-15-3)13-12(19-10(2)18)6-8-16-14(13)17/h6,8-9,15H,4-5,7H2,1-3H3
InChIKeyOBJXABJRHSVTQK-UHFFFAOYSA-N
XLogP1.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-[2-(methylamino)ethyl]pyrrolo[2,3-b]pyridin-4-yl] acetate?
The IUPAC name of [1-ethyl-3-[2-(methylamino)ethyl]pyrrolo[2,3-b]pyridin-4-yl] acetate (CID 167469253) is [1-ethyl-3-[2-(methylamino)ethyl]pyrrolo[2,3-b]pyridin-4-yl] acetate.
What is the SMILES notation for [1-ethyl-3-[2-(methylamino)ethyl]pyrrolo[2,3-b]pyridin-4-yl] acetate?
The canonical SMILES for [1-ethyl-3-[2-(methylamino)ethyl]pyrrolo[2,3-b]pyridin-4-yl] acetate is CCn1cc(CCNC)c2c(OC(C)=O)ccnc21.
What is the InChIKey of [1-ethyl-3-[2-(methylamino)ethyl]pyrrolo[2,3-b]pyridin-4-yl] acetate?
The InChIKey is OBJXABJRHSVTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-17-9-11(5-7-15-3)13-12(19-10(2)18)6-8-16-14(13)17/h6,8-9,15H,4-5,7H2,1-3H3.
What are the key properties of [1-ethyl-3-[2-(methylamino)ethyl]pyrrolo[2,3-b]pyridin-4-yl] acetate?
[1-ethyl-3-[2-(methylamino)ethyl]pyrrolo[2,3-b]pyridin-4-yl] acetate has a molecular weight of 261.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-[2-(methylamino)ethyl]pyrrolo[2,3-b]pyridin-4-yl] acetate is sourced from PubChem (CID 167469253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).