N-(4-acetylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide

C20H16FN3O3 — CID 42161920

IUPACN-(4-acetylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)n2)cc1
InChIInChI=1S/C20H16FN3O3/c1-13(25)15-5-7-17(8-6-15)22-20(27)18-9-10-19(26)24(23-18)12-14-3-2-4-16(21)11-14/h2-11H,12H2,1H3,(H,22,27)
InChIKeyCRQKGPCIPOLSJU-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.89
Rot. Bonds5

About N-(4-acetylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide

N-(4-acetylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide (PubChem CID 42161920) has the molecular formula C20H16FN3O3 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
PubChem CID42161920
Molecular FormulaC20H16FN3O3
Molecular Weight365.36 g/mol
Exact Mass365.12
IUPAC NameN-(4-acetylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)n2)cc1
InChIInChI=1S/C20H16FN3O3/c1-13(25)15-5-7-17(8-6-15)22-20(27)18-9-10-19(26)24(23-18)12-14-3-2-4-16(21)11-14/h2-11H,12H2,1H3,(H,22,27)
InChIKeyCRQKGPCIPOLSJU-UHFFFAOYSA-N
XLogP2.89
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide (CID 42161920) is N-(4-acetylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3cccc(F)c3)n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is CRQKGPCIPOLSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O3/c1-13(25)15-5-7-17(8-6-15)22-20(27)18-9-10-19(26)24(23-18)12-14-3-2-4-16(21)11-14/h2-11H,12H2,1H3,(H,22,27).
What are the key properties of N-(4-acetylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide?
N-(4-acetylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 42161920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).