6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide

C23H25N3O6 — CID 17490743

IUPAC6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C23H25N3O6/c1-29-19-14-21(31-3)20(30-2)13-16(19)15-24-23(28)18-9-10-22(27)26(25-18)11-12-32-17-7-5-4-6-8-17/h4-10,13-14H,11-12,15H2,1-3H3,(H,24,28)
InChIKeyOPOQCPPTJIKAIY-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.28
Rot. Bonds10

About 6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide

6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide (PubChem CID 17490743) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is 6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide
PubChem CID17490743
Molecular FormulaC23H25N3O6
Molecular Weight439.47 g/mol
Exact Mass439.17
IUPAC Name6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C23H25N3O6/c1-29-19-14-21(31-3)20(30-2)13-16(19)15-24-23(28)18-9-10-22(27)26(25-18)11-12-32-17-7-5-4-6-8-17/h4-10,13-14H,11-12,15H2,1-3H3,(H,24,28)
InChIKeyOPOQCPPTJIKAIY-UHFFFAOYSA-N
XLogP2.28
TPSA100.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide 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

[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylate
CID 32615736
N-[(2-methoxy-3-pyridinyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 38535069
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
N-[(3-butoxyphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55749505
6-oxo-1-(2-phenoxyethyl)-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 32983278
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
N-[(2-ethoxyphenyl)methyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 60565821
N-nonyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46549927
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
6-oxo-1-(2-phenoxyethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyridazine-3-carboxamide
CID 55712129
6-oxo-N-[2-oxo-2-(prop-2-ynylamino)ethyl]-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 49395200

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide (CID 17490743) is 6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide is COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of 6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is OPOQCPPTJIKAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-29-19-14-21(31-3)20(30-2)13-16(19)15-24-23(28)18-9-10-22(27)26(25-18)11-12-32-17-7-5-4-6-8-17/h4-10,13-14H,11-12,15H2,1-3H3,(H,24,28).
What are the key properties of 6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide?
6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 2.28, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(2-phenoxyethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 17490743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).