pyrrolo[2,3-b]pyridine-1-carboxamide

C8H7N3O — CID 18921977

IUPACpyrrolo[2,3-b]pyridine-1-carboxamide
SMILESNC(=O)n1ccc2cccnc21
InChIInChI=1S/C8H7N3O/c9-8(12)11-5-3-6-2-1-4-10-7(6)11/h1-5H,(H2,9,12)
InChIKeyPWEBVYIWBLUXHJ-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.96
Rot. Bonds

About pyrrolo[2,3-b]pyridine-1-carboxamide

pyrrolo[2,3-b]pyridine-1-carboxamide (PubChem CID 18921977) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is pyrrolo[2,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound Namepyrrolo[2,3-b]pyridine-1-carboxamide
PubChem CID18921977
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Namepyrrolo[2,3-b]pyridine-1-carboxamide
SMILESNC(=O)n1ccc2cccnc21
InChIInChI=1S/C8H7N3O/c9-8(12)11-5-3-6-2-1-4-10-7(6)11/h1-5H,(H2,9,12)
InChIKeyPWEBVYIWBLUXHJ-UHFFFAOYSA-N
XLogP0.96
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze pyrrolo[2,3-b]pyridine-1-carboxamide 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 pyrrolo[2,3-b]pyridine-1-carboxamide?
The IUPAC name of pyrrolo[2,3-b]pyridine-1-carboxamide (CID 18921977) is pyrrolo[2,3-b]pyridine-1-carboxamide.
What is the SMILES notation for pyrrolo[2,3-b]pyridine-1-carboxamide?
The canonical SMILES for pyrrolo[2,3-b]pyridine-1-carboxamide is NC(=O)n1ccc2cccnc21.
What is the InChIKey of pyrrolo[2,3-b]pyridine-1-carboxamide?
The InChIKey is PWEBVYIWBLUXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c9-8(12)11-5-3-6-2-1-4-10-7(6)11/h1-5H,(H2,9,12).
What are the key properties of pyrrolo[2,3-b]pyridine-1-carboxamide?
pyrrolo[2,3-b]pyridine-1-carboxamide has a molecular weight of 161.16 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 18921977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).