3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide

C20H16N4O2 — CID 129052097

IUPAC3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide
SMILESNC(=O)c1cccc(Cn2cc(-c3ccc4cn[nH]c4c3)ccc2=O)c1
InChIInChI=1S/C20H16N4O2/c21-20(26)15-3-1-2-13(8-15)11-24-12-17(6-7-19(24)25)14-4-5-16-10-22-23-18(16)9-14/h1-10,12H,11H2,(H2,21,26)(H,22,23)
InChIKeyJSXSJAZHNLZZFG-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.54
Rot. Bonds4

About 3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide

3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide (PubChem CID 129052097) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide
PubChem CID129052097
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide
SMILESNC(=O)c1cccc(Cn2cc(-c3ccc4cn[nH]c4c3)ccc2=O)c1
InChIInChI=1S/C20H16N4O2/c21-20(26)15-3-1-2-13(8-15)11-24-12-17(6-7-19(24)25)14-4-5-16-10-22-23-18(16)9-14/h1-10,12H,11H2,(H2,21,26)(H,22,23)
InChIKeyJSXSJAZHNLZZFG-UHFFFAOYSA-N
XLogP2.54
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]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-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide?
The IUPAC name of 3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide (CID 129052097) is 3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide.
What is the SMILES notation for 3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide?
The canonical SMILES for 3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide is NC(=O)c1cccc(Cn2cc(-c3ccc4cn[nH]c4c3)ccc2=O)c1.
What is the InChIKey of 3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide?
The InChIKey is JSXSJAZHNLZZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c21-20(26)15-3-1-2-13(8-15)11-24-12-17(6-7-19(24)25)14-4-5-16-10-22-23-18(16)9-14/h1-10,12H,11H2,(H2,21,26)(H,22,23).
What are the key properties of 3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide?
3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide has a molecular weight of 344.37 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide is sourced from PubChem (CID 129052097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).