N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide

C18H12F3N3O2 — CID 55632249

IUPACN-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H12F3N3O2/c19-12-1-3-15(4-2-12)24-17(25)6-5-16(23-24)18(26)22-10-11-7-13(20)9-14(21)8-11/h1-9H,10H2,(H,22,26)
InChIKeyFBJLJJVMDSQYBX-UHFFFAOYSA-N
MW359.31 g/mol
LogP2.58
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide

N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 55632249) has the molecular formula C18H12F3N3O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
PubChem CID55632249
Molecular FormulaC18H12F3N3O2
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC NameN-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)c1ccc(=O)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C18H12F3N3O2/c19-12-1-3-15(4-2-12)24-17(25)6-5-16(23-24)18(26)22-10-11-7-13(20)9-14(21)8-11/h1-9H,10H2,(H,22,26)
InChIKeyFBJLJJVMDSQYBX-UHFFFAOYSA-N
XLogP2.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide
CID 60622520
N-[[4-(4-fluorophenoxy)phenyl]methyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31966495
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-(ethylamino)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119505450
1-(4-fluorophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 55635456
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride
CID 120832876
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55950631
1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide
CID 86979076
1-(4-fluorophenyl)-6-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridazine-3-carboxamide
CID 55720325
1-(4-fluorophenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridazine-3-carboxamide
CID 55630701
N-[2-(4-chlorophenyl)sulfanylethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55633633

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide (CID 55632249) is N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide is O=C(NCc1cc(F)cc(F)c1)c1ccc(=O)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is FBJLJJVMDSQYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2/c19-12-1-3-15(4-2-12)24-17(25)6-5-16(23-24)18(26)22-10-11-7-13(20)9-14(21)8-11/h1-9H,10H2,(H,22,26).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 359.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55632249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).