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

C20H18FN3O3 — CID 51122223

IUPAC1-(4-fluorophenyl)-N-(2-methoxy-2-phenylethyl)-6-oxopyridazine-3-carboxamide
SMILESCOC(CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1ccccc1
InChIInChI=1S/C20H18FN3O3/c1-27-18(14-5-3-2-4-6-14)13-22-20(26)17-11-12-19(25)24(23-17)16-9-7-15(21)8-10-16/h2-12,18H,13H2,1H3,(H,22,26)
InChIKeyOODUEIIOFVJYQW-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.49
Rot. Bonds6

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

1-(4-fluorophenyl)-N-(2-methoxy-2-phenylethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 51122223) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-methoxy-2-phenylethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-methoxy-2-phenylethyl)-6-oxopyridazine-3-carboxamide
PubChem CID51122223
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name1-(4-fluorophenyl)-N-(2-methoxy-2-phenylethyl)-6-oxopyridazine-3-carboxamide
SMILESCOC(CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1ccccc1
InChIInChI=1S/C20H18FN3O3/c1-27-18(14-5-3-2-4-6-14)13-22-20(26)17-11-12-19(25)24(23-17)16-9-7-15(21)8-10-16/h2-12,18H,13H2,1H3,(H,22,26)
InChIKeyOODUEIIOFVJYQW-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-methoxy-2-phenylethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-methoxy-2-phenylethyl)-6-oxopyridazine-3-carboxamide (CID 51122223) is 1-(4-fluorophenyl)-N-(2-methoxy-2-phenylethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-methoxy-2-phenylethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-methoxy-2-phenylethyl)-6-oxopyridazine-3-carboxamide is COC(CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1ccccc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-methoxy-2-phenylethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is OODUEIIOFVJYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-27-18(14-5-3-2-4-6-14)13-22-20(26)17-11-12-19(25)24(23-17)16-9-7-15(21)8-10-16/h2-12,18H,13H2,1H3,(H,22,26).
What are the key properties of 1-(4-fluorophenyl)-N-(2-methoxy-2-phenylethyl)-6-oxopyridazine-3-carboxamide?
1-(4-fluorophenyl)-N-(2-methoxy-2-phenylethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-methoxy-2-phenylethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 51122223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).