3-[[5-(1-hydroxy-6-oxo-4-phenyl-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide

C26H20N4O3 — CID 71454023

IUPAC3-[[5-(1-hydroxy-6-oxo-4-phenyl-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
SMILESNC(=O)c1cccc(Cn2ccc3cc(-c4cc(-c5ccccc5)cc(=O)n4O)cnc32)c1
InChIInChI=1S/C26H20N4O3/c27-25(32)19-8-4-5-17(11-19)16-29-10-9-20-12-22(15-28-26(20)29)23-13-21(14-24(31)30(23)33)18-6-2-1-3-7-18/h1-15,33H,16H2,(H2,27,32)
InChIKeyQSOMIMVEQQLJPU-UHFFFAOYSA-N
MW436.47 g/mol
LogP3.92
Rot. Bonds5

About 3-[[5-(1-hydroxy-6-oxo-4-phenyl-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide

3-[[5-(1-hydroxy-6-oxo-4-phenyl-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide (PubChem CID 71454023) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is 3-[[5-(1-hydroxy-6-oxo-4-phenyl-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[5-(1-hydroxy-6-oxo-4-phenyl-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
PubChem CID71454023
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC Name3-[[5-(1-hydroxy-6-oxo-4-phenyl-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide
SMILESNC(=O)c1cccc(Cn2ccc3cc(-c4cc(-c5ccccc5)cc(=O)n4O)cnc32)c1
InChIInChI=1S/C26H20N4O3/c27-25(32)19-8-4-5-17(11-19)16-29-10-9-20-12-22(15-28-26(20)29)23-13-21(14-24(31)30(23)33)18-6-2-1-3-7-18/h1-15,33H,16H2,(H2,27,32)
InChIKeyQSOMIMVEQQLJPU-UHFFFAOYSA-N
XLogP3.92
TPSA103.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 3-[[5-(1-hydroxy-6-oxo-4-phenyl-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide 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 3-[[5-(1-hydroxy-6-oxo-4-phenyl-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
The IUPAC name of 3-[[5-(1-hydroxy-6-oxo-4-phenyl-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide (CID 71454023) is 3-[[5-(1-hydroxy-6-oxo-4-phenyl-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide.
What is the SMILES notation for 3-[[5-(1-hydroxy-6-oxo-4-phenyl-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
The canonical SMILES for 3-[[5-(1-hydroxy-6-oxo-4-phenyl-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide is NC(=O)c1cccc(Cn2ccc3cc(-c4cc(-c5ccccc5)cc(=O)n4O)cnc32)c1.
What is the InChIKey of 3-[[5-(1-hydroxy-6-oxo-4-phenyl-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
The InChIKey is QSOMIMVEQQLJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3/c27-25(32)19-8-4-5-17(11-19)16-29-10-9-20-12-22(15-28-26(20)29)23-13-21(14-24(31)30(23)33)18-6-2-1-3-7-18/h1-15,33H,16H2,(H2,27,32).
What are the key properties of 3-[[5-(1-hydroxy-6-oxo-4-phenyl-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide?
3-[[5-(1-hydroxy-6-oxo-4-phenyl-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide has a molecular weight of 436.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(1-hydroxy-6-oxo-4-phenyl-2-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methyl]benzamide is sourced from PubChem (CID 71454023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).