2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-pyridin-3-ylacetamide

C17H13N5O2 — CID 135693214

IUPAC2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-pyridin-3-ylacetamide
SMILESO=C(Cn1ncc2c([nH]c3ccccc32)c1=O)Nc1cccnc1
InChIInChI=1S/C17H13N5O2/c23-15(20-11-4-3-7-18-8-11)10-22-17(24)16-13(9-19-22)12-5-1-2-6-14(12)21-16/h1-9,21H,10H2,(H,20,23)
InChIKeyUSBJJRWSARPFQM-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.91
Rot. Bonds3

About 2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-pyridin-3-ylacetamide

2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-pyridin-3-ylacetamide (PubChem CID 135693214) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-pyridin-3-ylacetamide
PubChem CID135693214
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-pyridin-3-ylacetamide
SMILESO=C(Cn1ncc2c([nH]c3ccccc32)c1=O)Nc1cccnc1
InChIInChI=1S/C17H13N5O2/c23-15(20-11-4-3-7-18-8-11)10-22-17(24)16-13(9-19-22)12-5-1-2-6-14(12)21-16/h1-9,21H,10H2,(H,20,23)
InChIKeyUSBJJRWSARPFQM-UHFFFAOYSA-N
XLogP1.91
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-pyridin-3-ylacetamide 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 2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-pyridin-3-ylacetamide?
The IUPAC name of 2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-pyridin-3-ylacetamide (CID 135693214) is 2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-pyridin-3-ylacetamide?
The canonical SMILES for 2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-pyridin-3-ylacetamide is O=C(Cn1ncc2c([nH]c3ccccc32)c1=O)Nc1cccnc1.
What is the InChIKey of 2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-pyridin-3-ylacetamide?
The InChIKey is USBJJRWSARPFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c23-15(20-11-4-3-7-18-8-11)10-22-17(24)16-13(9-19-22)12-5-1-2-6-14(12)21-16/h1-9,21H,10H2,(H,20,23).
What are the key properties of 2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-pyridin-3-ylacetamide?
2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-pyridin-3-ylacetamide has a molecular weight of 319.32 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-5H-pyridazino[4,5-b]indol-3-yl)-N-pyridin-3-ylacetamide is sourced from PubChem (CID 135693214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).