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

C18H14FN3O2 — CID 17406826

IUPACN-(3-fluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccc(F)c2)nn1-c1ccccc1
InChIInChI=1S/C18H14FN3O2/c1-12-10-16(23)17(21-22(12)15-8-3-2-4-9-15)18(24)20-14-7-5-6-13(19)11-14/h2-11H,1H3,(H,20,24)
InChIKeyCKBFVLQHPHRQKO-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.93
Rot. Bonds3

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

N-(3-fluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 17406826) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is N-(3-fluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID17406826
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC NameN-(3-fluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cccc(F)c2)nn1-c1ccccc1
InChIInChI=1S/C18H14FN3O2/c1-12-10-16(23)17(21-22(12)15-8-3-2-4-9-15)18(24)20-14-7-5-6-13(19)11-14/h2-11H,1H3,(H,20,24)
InChIKeyCKBFVLQHPHRQKO-UHFFFAOYSA-N
XLogP2.93
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)-2-oxoacetamide
CID 3617259
4-oxo-N-phenyl-1-[3-(trifluoromethyl)phenyl]-1,4-dihydro-3-pyridazinecarboxamide
CID 1481283
5-oxo-N,1-diphenyl-4H-pyrazole-3-carboxamide
CID 24965129
Nicotinamide, 1,4-dihydro-2,6-dimethyl-N,1-diphenyl-4-oxo-
CID 3049733
4-chloro-N-(4-fluorophenyl)-6-oxo-1-phenyl-1,6-dihydro-3-pyridazinecarboxamide
CID 1486255
6-oxo-N,1-diphenyl-4-(trifluoromethyl)-1,6-dihydro-3-pyridazinecarboxamide
CID 1489974
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 8589909
1-(3,4-difluorophenyl)-N-(2-methylphenyl)-4-oxo-1,4-dihydro-3-pyridazinecarboxamide
CID 1481279
N-(3,5-difluorophenyl)-6-methyl-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide
CID 17397569
US11690850, Example 8
CID 26706927
US11690850, Example 17
CID 156391448
US11690850, Example 1
CID 156391495

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 17406826) is N-(3-fluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2cccc(F)c2)nn1-c1ccccc1.
What is the InChIKey of N-(3-fluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is CKBFVLQHPHRQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c1-12-10-16(23)17(21-22(12)15-8-3-2-4-9-15)18(24)20-14-7-5-6-13(19)11-14/h2-11H,1H3,(H,20,24).
What are the key properties of N-(3-fluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-(3-fluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 323.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 17406826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).