6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C20H17F3N4O — CID 109119018

IUPAC6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C20H17F3N4O/c1-27(13-14-5-3-2-4-6-14)18-12-11-17(25-26-18)19(28)24-16-9-7-15(8-10-16)20(21,22)23/h2-12H,13H2,1H3,(H,24,28)
InChIKeyKRFOLHGSTUQBDE-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.38
Rot. Bonds5

About 6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 109119018) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID109119018
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCN(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C20H17F3N4O/c1-27(13-14-5-3-2-4-6-14)18-12-11-17(25-26-18)19(28)24-16-9-7-15(8-10-16)20(21,22)23/h2-12H,13H2,1H3,(H,24,28)
InChIKeyKRFOLHGSTUQBDE-UHFFFAOYSA-N
XLogP4.38
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(N-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109127184
6-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109119015
6-[benzyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)pyridazine-3-carboxamide
CID 109119002
6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109117791
6-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133313290
6-[benzyl(methyl)amino]-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 109118961
6-[benzyl(methyl)amino]-N-[(2-chlorophenyl)methyl]pyridazine-3-carboxamide
CID 109118931
6-[butyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109125615
2-[benzyl(methyl)amino]-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
CID 109305045
6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109118785
6-[2-ethoxyethyl(methyl)amino]-N-phenylpyridazine-3-carboxamide
CID 133445922
N-(4-fluorophenyl)-6-[methyl(2-pyridin-4-ylethyl)amino]pyridazine-3-carboxamide
CID 109122614

Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 109119018) is 6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is CN(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)nn1.
What is the InChIKey of 6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is KRFOLHGSTUQBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-27(13-14-5-3-2-4-6-14)18-12-11-17(25-26-18)19(28)24-16-9-7-15(8-10-16)20(21,22)23/h2-12H,13H2,1H3,(H,24,28).
What are the key properties of 6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109119018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).