N-(4-methoxyphenyl)-6-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]pyridazine-3-carboxamide

C21H17F3N4O5 — CID 27443513

IUPACN-(4-methoxyphenyl)-6-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(=O)n(CC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C21H17F3N4O5/c1-32-15-6-2-14(3-7-15)26-20(31)17-10-11-19(30)28(27-17)12-18(29)25-13-4-8-16(9-5-13)33-21(22,23)24/h2-11H,12H2,1H3,(H,25,29)(H,26,31)
InChIKeyGLLJQBPIMASGCT-UHFFFAOYSA-N
MW462.38 g/mol
LogP3.04
Rot. Bonds7

About N-(4-methoxyphenyl)-6-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]pyridazine-3-carboxamide

N-(4-methoxyphenyl)-6-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]pyridazine-3-carboxamide (PubChem CID 27443513) has the molecular formula C21H17F3N4O5 and a molecular weight of 462.38 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]pyridazine-3-carboxamide
PubChem CID27443513
Molecular FormulaC21H17F3N4O5
Molecular Weight462.38 g/mol
Exact Mass462.12
IUPAC NameN-(4-methoxyphenyl)-6-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(=O)n(CC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C21H17F3N4O5/c1-32-15-6-2-14(3-7-15)26-20(31)17-10-11-19(30)28(27-17)12-18(29)25-13-4-8-16(9-5-13)33-21(22,23)24/h2-11H,12H2,1H3,(H,25,29)(H,26,31)
InChIKeyGLLJQBPIMASGCT-UHFFFAOYSA-N
XLogP3.04
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]pyridazine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-6-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]pyridazine-3-carboxamide (CID 27443513) is N-(4-methoxyphenyl)-6-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-6-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]pyridazine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-6-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]pyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(=O)n(CC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]pyridazine-3-carboxamide?
The InChIKey is GLLJQBPIMASGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O5/c1-32-15-6-2-14(3-7-15)26-20(31)17-10-11-19(30)28(27-17)12-18(29)25-13-4-8-16(9-5-13)33-21(22,23)24/h2-11H,12H2,1H3,(H,25,29)(H,26,31).
What are the key properties of N-(4-methoxyphenyl)-6-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]pyridazine-3-carboxamide?
N-(4-methoxyphenyl)-6-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]pyridazine-3-carboxamide has a molecular weight of 462.38 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-oxo-1-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 27443513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).