N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide

C20H18FN3O5 — CID 8556881

IUPACN-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2OC)cc1OC
InChIInChI=1S/C20H18FN3O5/c1-27-15-9-6-13(10-16(15)28-2)22-20(26)19-17(29-3)11-18(25)24(23-19)14-7-4-12(21)5-8-14/h4-11H,1-3H3,(H,22,26)
InChIKeyHBIIPEUGFQSOJW-UHFFFAOYSA-N
MW399.38 g/mol
LogP2.65
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide

N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide (PubChem CID 8556881) has the molecular formula C20H18FN3O5 and a molecular weight of 399.38 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
PubChem CID8556881
Molecular FormulaC20H18FN3O5
Molecular Weight399.38 g/mol
Exact Mass399.12
IUPAC NameN-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2OC)cc1OC
InChIInChI=1S/C20H18FN3O5/c1-27-15-9-6-13(10-16(15)28-2)22-20(26)19-17(29-3)11-18(25)24(23-19)14-7-4-12(21)5-8-14/h4-11H,1-3H3,(H,22,26)
InChIKeyHBIIPEUGFQSOJW-UHFFFAOYSA-N
XLogP2.65
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555849
1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8557146
N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
CID 53157636
1-(4-fluorophenyl)-4-methoxy-N-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8557151
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8557166
N-(3,4-dimethoxyphenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8554794
N-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8557124
N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8557159
1-(4-fluorophenyl)-4-methoxy-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 8557178
N-(4-fluoro-3-nitrophenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8553999
N-(3-acetylphenyl)-4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555936
N-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-methoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 108798453

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide (CID 8556881) is N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide is COc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2OC)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The InChIKey is HBIIPEUGFQSOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O5/c1-27-15-9-6-13(10-16(15)28-2)22-20(26)19-17(29-3)11-18(25)24(23-19)14-7-4-12(21)5-8-14/h4-11H,1-3H3,(H,22,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide has a molecular weight of 399.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 8556881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).