1-(3-fluorophenyl)-6-methoxy-4-oxo-N-phenylpyridazine-3-carboxamide

C18H14FN3O3 — CID 53157832

IUPAC1-(3-fluorophenyl)-6-methoxy-4-oxo-N-phenylpyridazine-3-carboxamide
SMILESCOc1cc(=O)c(C(=O)Nc2ccccc2)nn1-c1cccc(F)c1
InChIInChI=1S/C18H14FN3O3/c1-25-16-11-15(23)17(18(24)20-13-7-3-2-4-8-13)21-22(16)14-9-5-6-12(19)10-14/h2-11H,1H3,(H,20,24)
InChIKeyNCALKTQGUYLGBE-UHFFFAOYSA-N
MW339.33 g/mol
LogP2.63
Rot. Bonds4

About 1-(3-fluorophenyl)-6-methoxy-4-oxo-N-phenylpyridazine-3-carboxamide

1-(3-fluorophenyl)-6-methoxy-4-oxo-N-phenylpyridazine-3-carboxamide (PubChem CID 53157832) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-6-methoxy-4-oxo-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-6-methoxy-4-oxo-N-phenylpyridazine-3-carboxamide
PubChem CID53157832
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name1-(3-fluorophenyl)-6-methoxy-4-oxo-N-phenylpyridazine-3-carboxamide
SMILESCOc1cc(=O)c(C(=O)Nc2ccccc2)nn1-c1cccc(F)c1
InChIInChI=1S/C18H14FN3O3/c1-25-16-11-15(23)17(18(24)20-13-7-3-2-4-8-13)21-22(16)14-9-5-6-12(19)10-14/h2-11H,1H3,(H,20,24)
InChIKeyNCALKTQGUYLGBE-UHFFFAOYSA-N
XLogP2.63
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-6-methoxy-4-oxo-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-6-methoxy-4-oxo-N-phenylpyridazine-3-carboxamide (CID 53157832) is 1-(3-fluorophenyl)-6-methoxy-4-oxo-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-6-methoxy-4-oxo-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-6-methoxy-4-oxo-N-phenylpyridazine-3-carboxamide is COc1cc(=O)c(C(=O)Nc2ccccc2)nn1-c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-6-methoxy-4-oxo-N-phenylpyridazine-3-carboxamide?
The InChIKey is NCALKTQGUYLGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c1-25-16-11-15(23)17(18(24)20-13-7-3-2-4-8-13)21-22(16)14-9-5-6-12(19)10-14/h2-11H,1H3,(H,20,24).
What are the key properties of 1-(3-fluorophenyl)-6-methoxy-4-oxo-N-phenylpyridazine-3-carboxamide?
1-(3-fluorophenyl)-6-methoxy-4-oxo-N-phenylpyridazine-3-carboxamide has a molecular weight of 339.33 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-6-methoxy-4-oxo-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 53157832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).