1-(4-fluorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide

C23H23FN4O3 — CID 55891706

IUPAC1-(4-fluorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H23FN4O3/c1-4-23(2,3)26-21(30)15-5-9-17(10-6-15)25-22(31)19-13-14-20(29)28(27-19)18-11-7-16(24)8-12-18/h5-14H,4H2,1-3H3,(H,25,31)(H,26,30)
InChIKeyUQRSOZZCGDMCSG-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.54
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide

1-(4-fluorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide (PubChem CID 55891706) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide
PubChem CID55891706
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name1-(4-fluorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C23H23FN4O3/c1-4-23(2,3)26-21(30)15-5-9-17(10-6-15)25-22(31)19-13-14-20(29)28(27-19)18-11-7-16(24)8-12-18/h5-14H,4H2,1-3H3,(H,25,31)(H,26,30)
InChIKeyUQRSOZZCGDMCSG-UHFFFAOYSA-N
XLogP3.54
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide (CID 55891706) is 1-(4-fluorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide is CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is UQRSOZZCGDMCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-4-23(2,3)26-21(30)15-5-9-17(10-6-15)25-22(31)19-13-14-20(29)28(27-19)18-11-7-16(24)8-12-18/h5-14H,4H2,1-3H3,(H,25,31)(H,26,30).
What are the key properties of 1-(4-fluorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide?
1-(4-fluorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55891706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).