4-[[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-propylbenzamide

C28H28N4O4 — CID 46002193

IUPAC4-[[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Nc2c(Oc3cccc(C)c3)cnn(-c3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C28H28N4O4/c1-4-16-29-27(33)20-8-10-21(11-9-20)31-26-25(36-24-7-5-6-19(2)17-24)18-30-32(28(26)34)22-12-14-23(35-3)15-13-22/h5-15,17-18,31H,4,16H2,1-3H3,(H,29,33)
InChIKeyWCVVUKMVFQMAAD-UHFFFAOYSA-N
MW484.56 g/mol
LogP5.23
Rot. Bonds9

About 4-[[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-propylbenzamide

4-[[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-propylbenzamide (PubChem CID 46002193) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is 4-[[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-propylbenzamide
PubChem CID46002193
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC Name4-[[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Nc2c(Oc3cccc(C)c3)cnn(-c3ccc(OC)cc3)c2=O)cc1
InChIInChI=1S/C28H28N4O4/c1-4-16-29-27(33)20-8-10-21(11-9-20)31-26-25(36-24-7-5-6-19(2)17-24)18-30-32(28(26)34)22-12-14-23(35-3)15-13-22/h5-15,17-18,31H,4,16H2,1-3H3,(H,29,33)
InChIKeyWCVVUKMVFQMAAD-UHFFFAOYSA-N
XLogP5.23
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.56
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-propylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide
CID 42831437
4-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide
CID 46147931
4-[[5-(4-chlorophenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-ethylbenzamide
CID 42682100
4-[[2-(4-methoxyphenyl)-3-oxo-5-phenoxypyridazin-4-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93158758
N-[2-(dimethylamino)ethyl]-4-[[2-(4-fluorophenyl)-5-(4-methylphenoxy)-3-oxopyridazin-4-yl]amino]benzamide
CID 42836845
4-[[2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-3-oxopyridazin-4-yl]amino]-N-(pyridin-4-ylmethyl)benzamide
CID 42833437
3-[[2-(4-chlorophenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-[(4-fluorophenyl)methyl]benzamide
CID 42833444
3-[[5-(2,3-dihydro-1H-inden-5-yloxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide
CID 46002197
5-(2,3-dimethylphenoxy)-4-[4-(4-ethylpiperazine-1-carbonyl)anilino]-2-(4-methoxyphenyl)pyridazin-3-one
CID 46006285
3-[[5-(4-chloro-3-methylphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 46006259
N-butan-2-yl-3-[[2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-3-oxopyridazin-4-yl]amino]benzamide
CID 42833436
2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one
CID 46149497

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-propylbenzamide (CID 46002193) is 4-[[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(Nc2c(Oc3cccc(C)c3)cnn(-c3ccc(OC)cc3)c2=O)cc1.
What is the InChIKey of 4-[[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-propylbenzamide?
The InChIKey is WCVVUKMVFQMAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-4-16-29-27(33)20-8-10-21(11-9-20)31-26-25(36-24-7-5-6-19(2)17-24)18-30-32(28(26)34)22-12-14-23(35-3)15-13-22/h5-15,17-18,31H,4,16H2,1-3H3,(H,29,33).
What are the key properties of 4-[[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-propylbenzamide?
4-[[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-propylbenzamide has a molecular weight of 484.56 g/mol, XLogP of 5.23, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-propylbenzamide is sourced from PubChem (CID 46002193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).