N-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide

C20H18FN3O3 — CID 8557124

IUPACN-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC
InChIInChI=1S/C20H18FN3O3/c1-3-13-6-4-5-7-16(13)22-20(26)19-17(27-2)12-18(25)24(23-19)15-10-8-14(21)9-11-15/h4-12H,3H2,1-2H3,(H,22,26)
InChIKeyJTSAOVBIYBXMRS-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.19
Rot. Bonds5

About N-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide

N-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide (PubChem CID 8557124) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
PubChem CID8557124
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC NameN-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
SMILESCCc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC
InChIInChI=1S/C20H18FN3O3/c1-3-13-6-4-5-7-16(13)22-20(26)19-17(27-2)12-18(25)24(23-19)15-10-8-14(21)9-11-15/h4-12H,3H2,1-2H3,(H,22,26)
InChIKeyJTSAOVBIYBXMRS-UHFFFAOYSA-N
XLogP3.19
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-4-methoxy-N-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8557151
N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8557159
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8557166
N-(2-hydroxyphenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8553640
1-(4-fluorophenyl)-4-methoxy-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 8557178
N-(4-fluorophenyl)-4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555849
N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8556881
1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8557146
ethyl 1-(4-fluorophenyl)-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]-6-oxopyridazine-3-carboxylate
CID 18579899
4-methoxy-6-oxo-1-phenyl-N-propylpyridazine-3-carboxamide
CID 8553881
N-(2,5-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555401
N-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8552987

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide (CID 8557124) is N-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide is CCc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC.
What is the InChIKey of N-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
The InChIKey is JTSAOVBIYBXMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-3-13-6-4-5-7-16(13)22-20(26)19-17(27-2)12-18(25)24(23-19)15-10-8-14(21)9-11-15/h4-12H,3H2,1-2H3,(H,22,26).
What are the key properties of N-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide?
N-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 8557124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).