N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide

C20H21N3O3 — CID 15994477

IUPACN-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide
SMILESCOc1ccccc1CNC(=O)CN1N=C(c2ccccc2)CCC1=O
InChIInChI=1S/C20H21N3O3/c1-26-18-10-6-5-9-16(18)13-21-19(24)14-23-20(25)12-11-17(22-23)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,21,24)
InChIKeyXQFPSOWDYROYHE-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.34
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide

N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide (PubChem CID 15994477) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide
PubChem CID15994477
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide
SMILESCOc1ccccc1CNC(=O)CN1N=C(c2ccccc2)CCC1=O
InChIInChI=1S/C20H21N3O3/c1-26-18-10-6-5-9-16(18)13-21-19(24)14-23-20(25)12-11-17(22-23)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,21,24)
InChIKeyXQFPSOWDYROYHE-UHFFFAOYSA-N
XLogP2.34
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide (CID 15994477) is N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide is COc1ccccc1CNC(=O)CN1N=C(c2ccccc2)CCC1=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide?
The InChIKey is XQFPSOWDYROYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-26-18-10-6-5-9-16(18)13-21-19(24)14-23-20(25)12-11-17(22-23)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,21,24).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide?
N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetamide is sourced from PubChem (CID 15994477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).