2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylethyl)acetamide

C20H19N3O2 — CID 5053474

IUPAC2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-15(16-8-4-2-5-9-16)21-19(24)14-23-20(25)13-12-18(22-23)17-10-6-3-7-11-17/h2-13,15H,14H2,1H3,(H,21,24)
InChIKeyJOSRXIMQTVPDKL-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.79
Rot. Bonds5

About 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylethyl)acetamide

2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylethyl)acetamide (PubChem CID 5053474) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylethyl)acetamide
PubChem CID5053474
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1ccccc1
InChIInChI=1S/C20H19N3O2/c1-15(16-8-4-2-5-9-16)21-19(24)14-23-20(25)13-12-18(22-23)17-10-6-3-7-11-17/h2-13,15H,14H2,1H3,(H,21,24)
InChIKeyJOSRXIMQTVPDKL-UHFFFAOYSA-N
XLogP2.79
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylethyl)acetamide (CID 5053474) is 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylethyl)acetamide is CC(NC(=O)Cn1nc(-c2ccccc2)ccc1=O)c1ccccc1.
What is the InChIKey of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is JOSRXIMQTVPDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-15(16-8-4-2-5-9-16)21-19(24)14-23-20(25)13-12-18(22-23)17-10-6-3-7-11-17/h2-13,15H,14H2,1H3,(H,21,24).
What are the key properties of 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylethyl)acetamide?
2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 333.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-phenylpyridazin-1-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 5053474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).