1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide

C20H17F2N3O5 — CID 53157656

IUPAC1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
SMILESCOc1cc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c(OC)cc2=O)cc(OC)c1
InChIInChI=1S/C20H17F2N3O5/c1-28-13-6-11(7-14(9-13)29-2)23-20(27)19-17(26)10-18(30-3)25(24-19)12-4-5-15(21)16(22)8-12/h4-10H,1-3H3,(H,23,27)
InChIKeyATHIBOWMSOMRDL-UHFFFAOYSA-N
MW417.37 g/mol
LogP2.79
Rot. Bonds6

About 1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide

1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide (PubChem CID 53157656) has the molecular formula C20H17F2N3O5 and a molecular weight of 417.37 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
PubChem CID53157656
Molecular FormulaC20H17F2N3O5
Molecular Weight417.37 g/mol
Exact Mass417.11
IUPAC Name1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
SMILESCOc1cc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c(OC)cc2=O)cc(OC)c1
InChIInChI=1S/C20H17F2N3O5/c1-28-13-6-11(7-14(9-13)29-2)23-20(27)19-17(26)10-18(30-3)25(24-19)12-4-5-15(21)16(22)8-12/h4-10H,1-3H3,(H,23,27)
InChIKeyATHIBOWMSOMRDL-UHFFFAOYSA-N
XLogP2.79
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
CID 53157720
1-(3,4-difluorophenyl)-6-methoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 53157575
N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
CID 53157636
1-(4-fluorophenyl)-6-methoxy-4-oxo-N-propan-2-ylpyridazine-3-carboxamide
CID 53157521
N-(4-cyanophenyl)-1-(3-fluorophenyl)-6-methoxy-4-oxopyridazine-3-carboxamide
CID 53157827
N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16591333
N-[(2R)-butan-2-yl]-6-methoxy-1-(4-methoxyphenyl)-4-oxopyridazine-3-carboxamide
CID 95099138
1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 8777407
1-(3,4-difluorophenyl)-6-ethoxy-4-oxo-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 53157592
1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxylic acid
CID 50928021
N-(3,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 17400602
3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-4-oxophthalazine-1-carboxamide
CID 15992156

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide (CID 53157656) is 1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide is COc1cc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c(OC)cc2=O)cc(OC)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide?
The InChIKey is ATHIBOWMSOMRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O5/c1-28-13-6-11(7-14(9-13)29-2)23-20(27)19-17(26)10-18(30-3)25(24-19)12-4-5-15(21)16(22)8-12/h4-10H,1-3H3,(H,23,27).
What are the key properties of 1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide?
1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide has a molecular weight of 417.37 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-(3,5-dimethoxyphenyl)-6-methoxy-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 53157656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).