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

C28H26N4O5 — CID 42832502

IUPACN-cyclopropyl-3-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]benzamide
SMILESCOc1ccc(-n2ncc(Oc3cccc(OC)c3)c(Nc3cccc(C(=O)NC4CC4)c3)c2=O)cc1
InChIInChI=1S/C28H26N4O5/c1-35-22-13-11-21(12-14-22)32-28(34)26(25(17-29-32)37-24-8-4-7-23(16-24)36-2)30-20-6-3-5-18(15-20)27(33)31-19-9-10-19/h3-8,11-17,19,30H,9-10H2,1-2H3,(H,31,33)
InChIKeyXILIZPYLSHDMDR-UHFFFAOYSA-N
MW498.54 g/mol
LogP4.68
Rot. Bonds9

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

N-cyclopropyl-3-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]benzamide (PubChem CID 42832502) has the molecular formula C28H26N4O5 and a molecular weight of 498.54 g/mol. Its IUPAC name is N-cyclopropyl-3-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]benzamide
PubChem CID42832502
Molecular FormulaC28H26N4O5
Molecular Weight498.54 g/mol
Exact Mass498.19
IUPAC NameN-cyclopropyl-3-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]benzamide
SMILESCOc1ccc(-n2ncc(Oc3cccc(OC)c3)c(Nc3cccc(C(=O)NC4CC4)c3)c2=O)cc1
InChIInChI=1S/C28H26N4O5/c1-35-22-13-11-21(12-14-22)32-28(34)26(25(17-29-32)37-24-8-4-7-23(16-24)36-2)30-20-6-3-5-18(15-20)27(33)31-19-9-10-19/h3-8,11-17,19,30H,9-10H2,1-2H3,(H,31,33)
InChIKeyXILIZPYLSHDMDR-UHFFFAOYSA-N
XLogP4.68
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-cyclopropyl-3-[[5-(3,5-dimethylphenoxy)-3-oxo-2-phenylpyridazin-4-yl]amino]benzamide
CID 46146590
3-[[2-(3-chlorophenyl)-5-(3,4-dimethylphenoxy)-3-oxopyridazin-4-yl]amino]-N-cyclopropylbenzamide
CID 42832620
2-(4-methoxyphenyl)-4-[3-(morpholine-4-carbonyl)anilino]-5-phenoxypyridazin-3-one
CID 46149497
N-butan-2-yl-3-[[2-(4-chlorophenyl)-5-(4-methoxyphenoxy)-3-oxopyridazin-4-yl]amino]benzamide
CID 42833436
4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(4-chlorophenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 46147929
4-[[2-(4-methoxyphenyl)-5-(3-methylphenoxy)-3-oxopyridazin-4-yl]amino]-N-propylbenzamide
CID 46002193
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-dihydro-1H-inden-5-yloxy)-2-(4-methoxyphenyl)-4-[3-(4-methylpiperazine-1-carbonyl)anilino]pyridazin-3-one
CID 46002211
4-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(2-pyridin-2-ylethyl)benzamide
CID 46147931
3-[[5-(4-chloro-3-methylphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 46006259
4-[3-(4-acetylpiperazine-1-carbonyl)anilino]-5-(2,3-dimethylphenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 46006272
3-[[5-(3-chlorophenoxy)-2-(3-chlorophenyl)-3-oxopyridazin-4-yl]amino]benzoic acid
CID 42830238

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]benzamide (CID 42832502) is N-cyclopropyl-3-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]benzamide is COc1ccc(-n2ncc(Oc3cccc(OC)c3)c(Nc3cccc(C(=O)NC4CC4)c3)c2=O)cc1.
What is the InChIKey of N-cyclopropyl-3-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]benzamide?
The InChIKey is XILIZPYLSHDMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O5/c1-35-22-13-11-21(12-14-22)32-28(34)26(25(17-29-32)37-24-8-4-7-23(16-24)36-2)30-20-6-3-5-18(15-20)27(33)31-19-9-10-19/h3-8,11-17,19,30H,9-10H2,1-2H3,(H,31,33).
What are the key properties of N-cyclopropyl-3-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]benzamide?
N-cyclopropyl-3-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]benzamide has a molecular weight of 498.54 g/mol, XLogP of 4.68, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[5-(3-methoxyphenoxy)-2-(4-methoxyphenyl)-3-oxopyridazin-4-yl]amino]benzamide is sourced from PubChem (CID 42832502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).