N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide

C12H15N3O2 — CID 19703063

IUPACN-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
SMILESCOc1cnc2[nH]cc(CCNC(C)=O)c2c1
InChIInChI=1S/C12H15N3O2/c1-8(16)13-4-3-9-6-14-12-11(9)5-10(17-2)7-15-12/h5-7H,3-4H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyCOGBYVKHQGKYBA-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.25
Rot. Bonds4

About N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide

N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide (PubChem CID 19703063) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
PubChem CID19703063
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide
SMILESCOc1cnc2[nH]cc(CCNC(C)=O)c2c1
InChIInChI=1S/C12H15N3O2/c1-8(16)13-4-3-9-6-14-12-11(9)5-10(17-2)7-15-12/h5-7H,3-4H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyCOGBYVKHQGKYBA-UHFFFAOYSA-N
XLogP1.25
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide (CID 19703063) is N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide is COc1cnc2[nH]cc(CCNC(C)=O)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
The InChIKey is COGBYVKHQGKYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8(16)13-4-3-9-6-14-12-11(9)5-10(17-2)7-15-12/h5-7H,3-4H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide?
N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide has a molecular weight of 233.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 19703063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).