1-(4-fluorophenyl)-4-methoxy-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide

C20H18FN3O3 — CID 8557178

IUPAC1-(4-fluorophenyl)-4-methoxy-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCc1ccccc1
InChIInChI=1S/C20H18FN3O3/c1-27-17-13-18(25)24(16-9-7-15(21)8-10-16)23-19(17)20(26)22-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,22,26)
InChIKeyHQSSRVMHWUDQDQ-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.35
Rot. Bonds6

About 1-(4-fluorophenyl)-4-methoxy-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide

1-(4-fluorophenyl)-4-methoxy-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide (PubChem CID 8557178) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-methoxy-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-methoxy-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
PubChem CID8557178
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name1-(4-fluorophenyl)-4-methoxy-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCc1ccccc1
InChIInChI=1S/C20H18FN3O3/c1-27-17-13-18(25)24(16-9-7-15(21)8-10-16)23-19(17)20(26)22-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,22,26)
InChIKeyHQSSRVMHWUDQDQ-UHFFFAOYSA-N
XLogP2.35
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-6-oxo-1-phenyl-N-propylpyridazine-3-carboxamide
CID 8553881
N-(2-ethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8557124
1-(4-fluorophenyl)-4-methoxy-N-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8557151
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42755174
N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8556881
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
ethyl 1-(4-fluorophenyl)-4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethoxy]-6-oxopyridazine-3-carboxylate
CID 18579899
N-[(4-chlorophenyl)methyl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8553924
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-[(2R)-butan-2-yl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8552987

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-methoxy-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-4-methoxy-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide (CID 8557178) is 1-(4-fluorophenyl)-4-methoxy-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-4-methoxy-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-4-methoxy-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide is COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCCc1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-methoxy-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide?
The InChIKey is HQSSRVMHWUDQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-27-17-13-18(25)24(16-9-7-15(21)8-10-16)23-19(17)20(26)22-12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,22,26).
What are the key properties of 1-(4-fluorophenyl)-4-methoxy-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide?
1-(4-fluorophenyl)-4-methoxy-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-methoxy-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 8557178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).