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2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide

C20H21N3O3 — CID 142082421

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1
InChIInChI=1S/C20H21N3O3/c1-3-26-17-7-5-4-6-16(17)20(25)21-15-10-8-14(9-11-15)19-13(2)12-18(24)22-23-19/h4-11,13H,3,12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyWHZAQNUDJXHEQE-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.20
Rot. Bonds5

About 2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide

2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide (PubChem CID 142082421) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
PubChem CID142082421
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1
InChIInChI=1S/C20H21N3O3/c1-3-26-17-7-5-4-6-16(17)20(25)21-15-10-8-14(9-11-15)19-13(2)12-18(24)22-23-19/h4-11,13H,3,12H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyWHZAQNUDJXHEQE-UHFFFAOYSA-N
XLogP3.20
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide (CID 142082421) is 2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide is CCOc1ccccc1C(=O)Nc1ccc(C2=NNC(=O)CC2C)cc1.
What is the InChIKey of 2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
The InChIKey is WHZAQNUDJXHEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-26-17-7-5-4-6-16(17)20(25)21-15-10-8-14(9-11-15)19-13(2)12-18(24)22-23-19/h4-11,13H,3,12H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide?
2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 142082421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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