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

C20H16N4O2 — CID 129052051

IUPAC2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide
SMILESNC(=O)c1ccccc1Cn1cc(-c2ccc3cn[nH]c3c2)ccc1=O
InChIInChI=1S/C20H16N4O2/c21-20(26)17-4-2-1-3-16(17)12-24-11-15(7-8-19(24)25)13-5-6-14-10-22-23-18(14)9-13/h1-11H,12H2,(H2,21,26)(H,22,23)
InChIKeyIBHOTNCJTRATHT-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.54
Rot. Bonds4

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

2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide (PubChem CID 129052051) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide.

Molecular Properties

Compound Name2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide
PubChem CID129052051
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide
SMILESNC(=O)c1ccccc1Cn1cc(-c2ccc3cn[nH]c3c2)ccc1=O
InChIInChI=1S/C20H16N4O2/c21-20(26)17-4-2-1-3-16(17)12-24-11-15(7-8-19(24)25)13-5-6-14-10-22-23-18(14)9-13/h1-11H,12H2,(H2,21,26)(H,22,23)
InChIKeyIBHOTNCJTRATHT-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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide?
The IUPAC name of 2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide (CID 129052051) is 2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide.
What is the SMILES notation for 2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide?
The canonical SMILES for 2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide is NC(=O)c1ccccc1Cn1cc(-c2ccc3cn[nH]c3c2)ccc1=O.
What is the InChIKey of 2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide?
The InChIKey is IBHOTNCJTRATHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c21-20(26)17-4-2-1-3-16(17)12-24-11-15(7-8-19(24)25)13-5-6-14-10-22-23-18(14)9-13/h1-11H,12H2,(H2,21,26)(H,22,23).
What are the key properties of 2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide?
2-[[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 2-[[5-(1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]benzamide is sourced from PubChem (CID 129052051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).