4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide

C26H24N4O3 — CID 42831437

IUPAC4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Nc2c(Oc3ccccc3)cnn(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C26H24N4O3/c1-2-17-27-25(31)19-13-15-20(16-14-19)29-24-23(33-22-11-7-4-8-12-22)18-28-30(26(24)32)21-9-5-3-6-10-21/h3-16,18,29H,2,17H2,1H3,(H,27,31)
InChIKeyQUGCYQWYRNZHOA-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.91
Rot. Bonds8

About 4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide

4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide (PubChem CID 42831437) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide
PubChem CID42831437
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(Nc2c(Oc3ccccc3)cnn(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C26H24N4O3/c1-2-17-27-25(31)19-13-15-20(16-14-19)29-24-23(33-22-11-7-4-8-12-22)18-28-30(26(24)32)21-9-5-3-6-10-21/h3-16,18,29H,2,17H2,1H3,(H,27,31)
InChIKeyQUGCYQWYRNZHOA-UHFFFAOYSA-N
XLogP4.91
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-propylbenzamide
CID 46002193
4-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide
CID 46147931
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-[[5-(4-fluorophenoxy)-2-(4-fluorophenyl)-3-oxopyridazin-4-yl]amino]-N-[(3-fluorophenyl)methyl]benzamide
CID 42836651
4-[[5-(2,3-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzoic acid
CID 42830232
3-[[5-(4-chlorophenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide
CID 42830823
4-[[2-(4-fluorophenyl)-5-(2-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 46006577
4-[[2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-3-oxopyridazin-4-yl]amino]-N-(pyridin-4-ylmethyl)benzamide
CID 42833437
4-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 46002819
N-cyclopropyl-3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzamide
CID 46146590
4-[[5-(3-chlorophenoxy)-2-methyl-3-oxopyridazin-4-yl]amino]-N-(3-methylbutyl)benzamide
CID 46001056

Frequently Asked Questions

What is the IUPAC name of 4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide?
The IUPAC name of 4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide (CID 42831437) is 4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide.
What is the SMILES notation for 4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide?
The canonical SMILES for 4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide is CCCNC(=O)c1ccc(Nc2c(Oc3ccccc3)cnn(-c3ccccc3)c2=O)cc1.
What is the InChIKey of 4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide?
The InChIKey is QUGCYQWYRNZHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-2-17-27-25(31)19-13-15-20(16-14-19)29-24-23(33-22-11-7-4-8-12-22)18-28-30(26(24)32)21-9-5-3-6-10-21/h3-16,18,29H,2,17H2,1H3,(H,27,31).
What are the key properties of 4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide?
4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide has a molecular weight of 440.50 g/mol, XLogP of 4.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide is sourced from PubChem (CID 42831437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).