6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C17H19F3N4O — CID 109125615

IUPAC6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C17H19F3N4O/c1-3-4-10-24(2)15-9-8-14(22-23-15)16(25)21-13-7-5-6-12(11-13)17(18,19)20/h5-9,11H,3-4,10H2,1-2H3,(H,21,25)
InChIKeyXAXXTSXOZOJPRI-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.98
Rot. Bonds6

About 6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 109125615) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID109125615
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCCCCN(C)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C17H19F3N4O/c1-3-4-10-24(2)15-9-8-14(22-23-15)16(25)21-13-7-5-6-12(11-13)17(18,19)20/h5-9,11H,3-4,10H2,1-2H3,(H,21,25)
InChIKeyXAXXTSXOZOJPRI-UHFFFAOYSA-N
XLogP3.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[butyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109125639
3-[[2-[butyl(methyl)amino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27152993
6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109119018
6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42162095
6-[butyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109125564
N-benzyl-6-[butyl(methyl)amino]pyridazine-3-carboxamide
CID 109117888
2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109096385
N-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113015372
1-N-butyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043779
N-[3-(trifluoromethyl)phenyl]hexanamide
CID 4609508
6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129760
2-[butyl(methyl)amino]-6-methyl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109333587

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 109125615) is 6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is CCCCN(C)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of 6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is XAXXTSXOZOJPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-3-4-10-24(2)15-9-8-14(22-23-15)16(25)21-13-7-5-6-12(11-13)17(18,19)20/h5-9,11H,3-4,10H2,1-2H3,(H,21,25).
What are the key properties of 6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109125615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).