N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C20H19N3O2 — CID 6460502

IUPACN-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCCc1ccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C20H19N3O2/c1-2-15-8-10-17(11-9-15)21-19(24)14-23-20(25)13-12-18(22-23)16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,21,24)
InChIKeyILYUGANSCPINCT-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.11
Rot. Bonds5

About N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 6460502) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID6460502
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCCc1ccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1
InChIInChI=1S/C20H19N3O2/c1-2-15-8-10-17(11-9-15)21-19(24)14-23-20(25)13-12-18(22-23)16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,21,24)
InChIKeyILYUGANSCPINCT-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 6460502) is N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is CCc1ccc(NC(=O)Cn2nc(-c3ccccc3)ccc2=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is ILYUGANSCPINCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-2-15-8-10-17(11-9-15)21-19(24)14-23-20(25)13-12-18(22-23)16-6-4-3-5-7-16/h3-13H,2,14H2,1H3,(H,21,24).
What are the key properties of N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 333.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 6460502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).