N-(3,4-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide

C19H15F2N3O3 — CID 8554755

IUPACN-(3,4-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H15F2N3O3/c1-11-5-3-4-6-15(11)24-17(25)10-16(27-2)18(23-24)19(26)22-12-7-8-13(20)14(21)9-12/h3-10H,1-2H3,(H,22,26)
InChIKeyMTIDJYOAZCFVPY-UHFFFAOYSA-N
MW371.34 g/mol
LogP3.08
Rot. Bonds4

About N-(3,4-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide

N-(3,4-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 8554755) has the molecular formula C19H15F2N3O3 and a molecular weight of 371.34 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID8554755
Molecular FormulaC19H15F2N3O3
Molecular Weight371.34 g/mol
Exact Mass371.11
IUPAC NameN-(3,4-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCOc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H15F2N3O3/c1-11-5-3-4-6-15(11)24-17(25)10-16(27-2)18(23-24)19(26)22-12-7-8-13(20)14(21)9-12/h3-10H,1-2H3,(H,22,26)
InChIKeyMTIDJYOAZCFVPY-UHFFFAOYSA-N
XLogP3.08
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8554794
N-(2,5-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555401
4-methoxy-1-(2-methylphenyl)-6-oxo-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 8555016
4-methoxy-1-(2-methylphenyl)-N-(4-nitrophenyl)-6-oxopyridazine-3-carboxamide
CID 8554825
4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl chloride
CID 142773071
dimethyl 2-[[4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carbonyl]amino]benzene-1,4-dicarboxylate
CID 26842156
N-(4-fluoro-3-nitrophenyl)-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8553999
4-methoxy-N-(2-methyl-4-nitrophenyl)-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8554830
1-(4-fluorophenyl)-4-methoxy-N-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8557151
N-(4-fluorophenyl)-4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555849
N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8556881
1-(4-fluorophenyl)-4-methoxy-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8557146

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide (CID 8554755) is N-(3,4-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide is COc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is MTIDJYOAZCFVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3/c1-11-5-3-4-6-15(11)24-17(25)10-16(27-2)18(23-24)19(26)22-12-7-8-13(20)14(21)9-12/h3-10H,1-2H3,(H,22,26).
What are the key properties of N-(3,4-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide?
N-(3,4-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 371.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-methoxy-1-(2-methylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 8554755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).