2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide

C21H21N3O3 — CID 4993789

IUPAC2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)NCCc3ccccc3)n2)cc1
InChIInChI=1S/C21H21N3O3/c1-27-18-9-7-17(8-10-18)19-11-12-21(26)24(23-19)15-20(25)22-14-13-16-5-3-2-4-6-16/h2-12H,13-15H2,1H3,(H,22,25)
InChIKeyPIBJVJDYRCYVKN-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.28
Rot. Bonds7

About 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide

2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 4993789) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID4993789
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
SMILESCOc1ccc(-c2ccc(=O)n(CC(=O)NCCc3ccccc3)n2)cc1
InChIInChI=1S/C21H21N3O3/c1-27-18-9-7-17(8-10-18)19-11-12-21(26)24(23-19)15-20(25)22-14-13-16-5-3-2-4-6-16/h2-12H,13-15H2,1H3,(H,22,25)
InChIKeyPIBJVJDYRCYVKN-UHFFFAOYSA-N
XLogP2.28
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Benzyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 6472426
6-(3,4-Dimethoxyphenyl)-2-(5-phenylpentyl)pyridazin-3-one
CID 11153159
2-allyl-6-(4-methoxystyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475385
(Z)-3-(2-Methoxy-phenyl)-N-[1-methyl-2-phenyl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-acrylamide
CID 9698992
N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 16000066
N-(4-methoxybenzyl)-2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)acetamide
CID 3236385
3(2H)-Pyridazinone, 2-ethyl-5,6-bis(4-methoxyphenyl)-
CID 9902312
2-(Cyclopentylmethyl)-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 9908438
2-Cyclopentyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 10110067
5,6-bis(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]pyridazin-3-one
CID 15541843
2-Benzyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369323
2-[(4-Fluorophenyl)methyl]-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 18369431

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide (CID 4993789) is 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide is COc1ccc(-c2ccc(=O)n(CC(=O)NCCc3ccccc3)n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is PIBJVJDYRCYVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-27-18-9-7-17(8-10-18)19-11-12-21(26)24(23-19)15-20(25)22-14-13-16-5-3-2-4-6-16/h2-12H,13-15H2,1H3,(H,22,25).
What are the key properties of 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide?
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 363.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 4993789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).