6-(N-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C19H15F3N4O — CID 109127184

IUPAC6-(N-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCN(c1ccccc1)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C19H15F3N4O/c1-26(15-5-3-2-4-6-15)17-12-11-16(24-25-17)18(27)23-14-9-7-13(8-10-14)19(20,21)22/h2-12H,1H3,(H,23,27)
InChIKeyVPPBTWLKSNVKNK-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.52
Rot. Bonds4

About 6-(N-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-(N-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 109127184) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 6-(N-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(N-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID109127184
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name6-(N-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCN(c1ccccc1)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C19H15F3N4O/c1-26(15-5-3-2-4-6-15)17-12-11-16(24-25-17)18(27)23-14-9-7-13(8-10-14)19(20,21)22/h2-12H,1H3,(H,23,27)
InChIKeyVPPBTWLKSNVKNK-UHFFFAOYSA-N
XLogP4.52
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[benzyl(methyl)amino]-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109119018
N-(3-chloro-4-methoxyphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109127167
6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109118785
6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109117791
N-(3-chloro-2-methylphenyl)-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109127162
N-(4-ethoxyphenyl)-6-(N-ethylanilino)pyridazine-3-carboxamide
CID 109128038
6-cyclopropyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 113200265
6-(N-ethylanilino)-N-(4-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109128041
5-(N-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289424
6-oxo-1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]-N-phenylpyridazine-3-carboxamide
CID 26845038
N-[2-(4-chlorophenyl)ethyl]-6-(N-methylanilino)pyridazine-3-carboxamide
CID 109123397
6-(N-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109127197

Frequently Asked Questions

What is the IUPAC name of 6-(N-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(N-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 109127184) is 6-(N-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(N-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(N-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is CN(c1ccccc1)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)nn1.
What is the InChIKey of 6-(N-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is VPPBTWLKSNVKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c1-26(15-5-3-2-4-6-15)17-12-11-16(24-25-17)18(27)23-14-9-7-13(8-10-14)19(20,21)22/h2-12H,1H3,(H,23,27).
What are the key properties of 6-(N-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-(N-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-methylanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109127184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).