4-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide

C32H29N5O5 — CID 46147931

IUPAC4-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCOc1ccc(-n2ncc(Oc3cccc(OC)c3)c(Nc3ccc(C(=O)NCCc4ccccn4)cc3)c2=O)cc1
InChIInChI=1S/C32H29N5O5/c1-40-26-15-13-25(14-16-26)37-32(39)30(29(21-35-37)42-28-8-5-7-27(20-28)41-2)36-24-11-9-22(10-12-24)31(38)34-19-17-23-6-3-4-18-33-23/h3-16,18,20-21,36H,17,19H2,1-2H3,(H,34,38)
InChIKeyZURWOKXKXCORQS-UHFFFAOYSA-N
MW563.61 g/mol
LogP5.15
Rot. Bonds11

About 4-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide

4-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 46147931) has the molecular formula C32H29N5O5 and a molecular weight of 563.61 g/mol. Its IUPAC name is 4-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID46147931
Molecular FormulaC32H29N5O5
Molecular Weight563.61 g/mol
Exact Mass563.22
IUPAC Name4-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide
SMILESCOc1ccc(-n2ncc(Oc3cccc(OC)c3)c(Nc3ccc(C(=O)NCCc4ccccn4)cc3)c2=O)cc1
InChIInChI=1S/C32H29N5O5/c1-40-26-15-13-25(14-16-26)37-32(39)30(29(21-35-37)42-28-8-5-7-27(20-28)41-2)36-24-11-9-22(10-12-24)31(38)34-19-17-23-6-3-4-18-33-23/h3-16,18,20-21,36H,17,19H2,1-2H3,(H,34,38)
InChIKeyZURWOKXKXCORQS-UHFFFAOYSA-N
XLogP5.15
TPSA116.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.61
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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
4-[[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-propylbenzamide
CID 46002193
3-[[5-(4-chlorophenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide
CID 42830823
3-[[5-(4-chloro-3-methylphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 46006259
4-[(3-oxo-5-phenoxy-2-phenylpyridazin-4-yl)amino]-N-propylbenzamide
CID 42831437
N-cyclopropyl-3-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]benzamide
CID 42832502
4-[[2-(4-methoxyphenyl)-3-oxo-5-phenoxypyridazin-4-yl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93158758
4-[[2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-3-oxopyridazin-4-yl]amino]-N-(pyridin-4-ylmethyl)benzamide
CID 42833437
N-[2-(dimethylamino)ethyl]-4-[[2-(4-fluorophenyl)-5-(4-methylphenoxy)-3-oxopyridazin-4-yl]amino]benzamide
CID 42836845
3-[[2-(2-chlorophenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 42835543
2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one
CID 46149497
1-(4-methoxyphenyl)-3-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 42754625

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of 4-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide (CID 46147931) is 4-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 4-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 4-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide is COc1ccc(-n2ncc(Oc3cccc(OC)c3)c(Nc3ccc(C(=O)NCCc4ccccn4)cc3)c2=O)cc1.
What is the InChIKey of 4-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is ZURWOKXKXCORQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5O5/c1-40-26-15-13-25(14-16-26)37-32(39)30(29(21-35-37)42-28-8-5-7-27(20-28)41-2)36-24-11-9-22(10-12-24)31(38)34-19-17-23-6-3-4-18-33-23/h3-16,18,20-21,36H,17,19H2,1-2H3,(H,34,38).
What are the key properties of 4-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide?
4-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 563.61 g/mol, XLogP of 5.15, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 46147931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).