N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C23H22F3N3O4 — CID 39967827

IUPACN-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)c(OC)c1
InChIInChI=1S/C23H22F3N3O4/c1-14-11-19(30)21(27-29(14)18-8-6-5-7-17(18)23(24,25)26)22(31)28(2)13-15-9-10-16(32-3)12-20(15)33-4/h5-12H,13H2,1-4H3
InChIKeyDNONNVXKNALTIH-UHFFFAOYSA-N
MW461.44 g/mol
LogP3.85
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 39967827) has the molecular formula C23H22F3N3O4 and a molecular weight of 461.44 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID39967827
Molecular FormulaC23H22F3N3O4
Molecular Weight461.44 g/mol
Exact Mass461.16
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)c(OC)c1
InChIInChI=1S/C23H22F3N3O4/c1-14-11-19(30)21(27-29(14)18-8-6-5-7-17(18)23(24,25)26)22(31)28(2)13-15-9-10-16(32-3)12-20(15)33-4/h5-12H,13H2,1-4H3
InChIKeyDNONNVXKNALTIH-UHFFFAOYSA-N
XLogP3.85
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.44
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide with MolForge

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Related Compounds

methyl 4-[methyl-[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]butanoate
CID 39491205
N,6-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 24504674
N-benzyl-N-cyclopropyl-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 38252656
N-[2-(dimethylamino)ethyl]-N-[(2-fluorophenyl)methyl]-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 55981284
6-methyl-N-[2-(methylamino)ethyl]-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 119499946
N-cyclohexyl-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 51210732
N-[(2,4-dimethylphenyl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 18117120
N-ethyl-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 39967969
N-(2-hydroxypropyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 78855377
N-(2-aminoethyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
CID 119382037
methyl 2-methyl-2-[[6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]amino]propanoate
CID 30886860
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 51143628

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 39967827) is N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is COc1ccc(CN(C)C(=O)c2nn(-c3ccccc3C(F)(F)F)c(C)cc2=O)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is DNONNVXKNALTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O4/c1-14-11-19(30)21(27-29(14)18-8-6-5-7-17(18)23(24,25)26)22(31)28(2)13-15-9-10-16(32-3)12-20(15)33-4/h5-12H,13H2,1-4H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 461.44 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 39967827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).