[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate

C25H27N3O8 — CID 32615736

IUPAC[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)COC(=O)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C25H27N3O8/c1-32-20-14-22(34-3)21(33-2)13-17(20)15-26-23(29)16-36-25(31)19-9-10-24(30)28(27-19)11-12-35-18-7-5-4-6-8-18/h4-10,13-14H,11-12,15-16H2,1-3H3,(H,26,29)
InChIKeyBRTOYTMCKPHXQJ-UHFFFAOYSA-N
MW497.50 g/mol
LogP1.82
Rot. Bonds12

About [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate

[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate (PubChem CID 32615736) has the molecular formula C25H27N3O8 and a molecular weight of 497.50 g/mol. Its IUPAC name is [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
PubChem CID32615736
Molecular FormulaC25H27N3O8
Molecular Weight497.50 g/mol
Exact Mass497.18
IUPAC Name[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)COC(=O)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C25H27N3O8/c1-32-20-14-22(34-3)21(33-2)13-17(20)15-26-23(29)16-36-25(31)19-9-10-24(30)28(27-19)11-12-35-18-7-5-4-6-8-18/h4-10,13-14H,11-12,15-16H2,1-3H3,(H,26,29)
InChIKeyBRTOYTMCKPHXQJ-UHFFFAOYSA-N
XLogP1.82
TPSA127.21 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.50
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate with MolForge

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Related Compounds

6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 17490743
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 46628786
[2-(4-tert-butylanilino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 27426793
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080743
[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 27427785
N-[(2-methoxy-3-pyridinyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 38535069
[2-(N-ethylanilino)-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 46628831
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 55430048
(7-methoxynaphthalen-2-yl) 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 32616229
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate?
The IUPAC name of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate (CID 32615736) is [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate?
The canonical SMILES for [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate is COc1cc(OC)c(OC)cc1CNC(=O)COC(=O)c1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate?
The InChIKey is BRTOYTMCKPHXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O8/c1-32-20-14-22(34-3)21(33-2)13-17(20)15-26-23(29)16-36-25(31)19-9-10-24(30)28(27-19)11-12-35-18-7-5-4-6-8-18/h4-10,13-14H,11-12,15-16H2,1-3H3,(H,26,29).
What are the key properties of [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate?
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate has a molecular weight of 497.50 g/mol, XLogP of 1.82, 12 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate is sourced from PubChem (CID 32615736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).