3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide

C23H27N3O3 — CID 46373703

IUPAC3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCCc1ccc(C2=NN(CCC(=O)NCc3ccc(OC)cc3)C(=O)CC2)cc1
InChIInChI=1S/C23H27N3O3/c1-3-17-4-8-19(9-5-17)21-12-13-23(28)26(25-21)15-14-22(27)24-16-18-6-10-20(29-2)11-7-18/h4-11H,3,12-16H2,1-2H3,(H,24,27)
InChIKeyINJPYWMZNWITKZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.29
Rot. Bonds8

About 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide

3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 46373703) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID46373703
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCCc1ccc(C2=NN(CCC(=O)NCc3ccc(OC)cc3)C(=O)CC2)cc1
InChIInChI=1S/C23H27N3O3/c1-3-17-4-8-19(9-5-17)21-12-13-23(28)26(25-21)15-14-22(27)24-16-18-6-10-20(29-2)11-7-18/h4-11H,3,12-16H2,1-2H3,(H,24,27)
InChIKeyINJPYWMZNWITKZ-UHFFFAOYSA-N
XLogP3.29
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
CID 45107088
N-benzyl-3-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)propanamide
CID 6624459
N-(3-butylsulfanylpropyl)-3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
CID 46373708
N-cyclopropyl-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 15996433
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-(3-butylsulfanylpropyl)-3-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]propanamide
CID 46372560
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
N-[3-[benzyl(propan-2-yl)amino]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 20968544
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-[3-(4-methoxyphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide
CID 92715204
N-[(4-methoxyphenyl)methyl]-2-[4-(4-methoxyphenyl)-2-oxo-3H-1,5-benzodiazepin-1-yl]acetamide
CID 53029065
N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide
CID 109014498
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide (CID 46373703) is 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide is CCc1ccc(C2=NN(CCC(=O)NCc3ccc(OC)cc3)C(=O)CC2)cc1.
What is the InChIKey of 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is INJPYWMZNWITKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-3-17-4-8-19(9-5-17)21-12-13-23(28)26(25-21)15-14-22(27)24-16-18-6-10-20(29-2)11-7-18/h4-11H,3,12-16H2,1-2H3,(H,24,27).
What are the key properties of 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide?
3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 393.49 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-ethylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 46373703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).