1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide

C24H18FN3O3 — CID 60622520

IUPAC1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(Oc2ccccc2)cc1)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H18FN3O3/c25-18-8-10-19(11-9-18)28-23(29)15-14-22(27-28)24(30)26-16-17-6-12-21(13-7-17)31-20-4-2-1-3-5-20/h1-15H,16H2,(H,26,30)
InChIKeyIRCORMMOPCFWEM-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.09
Rot. Bonds6

About 1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide

1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide (PubChem CID 60622520) has the molecular formula C24H18FN3O3 and a molecular weight of 415.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide
PubChem CID60622520
Molecular FormulaC24H18FN3O3
Molecular Weight415.42 g/mol
Exact Mass415.13
IUPAC Name1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(Oc2ccccc2)cc1)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H18FN3O3/c25-18-8-10-19(11-9-18)28-23(29)15-14-22(27-28)24(30)26-16-17-6-12-21(13-7-17)31-20-4-2-1-3-5-20/h1-15H,16H2,(H,26,30)
InChIKeyIRCORMMOPCFWEM-UHFFFAOYSA-N
XLogP4.09
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-fluorophenoxy)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31966495
N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55632249
1-(4-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 55635456
1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide
CID 86979076
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55632306
N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55854510
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31855931
N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55844382
N-[2-(ethylamino)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119505450
N-[2-[[4-(4-fluorophenoxy)phenyl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 25403563
1-(4-fluorophenyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridazine-3-carboxamide
CID 55720325
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride
CID 120832876

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide (CID 60622520) is 1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide is O=C(NCc1ccc(Oc2ccccc2)cc1)c1ccc(=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide?
The InChIKey is IRCORMMOPCFWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O3/c25-18-8-10-19(11-9-18)28-23(29)15-14-22(27-28)24(30)26-16-17-6-12-21(13-7-17)31-20-4-2-1-3-5-20/h1-15H,16H2,(H,26,30).
What are the key properties of 1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide?
1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide has a molecular weight of 415.42 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 60622520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).