N-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide

C20H17F3N4O — CID 109119135

IUPACN-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(Nc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C20H17F3N4O/c1-27(13-14-7-3-2-4-8-14)19(28)17-11-12-18(26-25-17)24-16-10-6-5-9-15(16)20(21,22)23/h2-12H,13H2,1H3,(H,24,26)
InChIKeyQQCDTRSSFHYBMI-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.51
Rot. Bonds5

About N-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide

N-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide (PubChem CID 109119135) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is N-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide
PubChem CID109119135
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC NameN-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(Nc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C20H17F3N4O/c1-27(13-14-7-3-2-4-8-14)19(28)17-11-12-18(26-25-17)24-16-10-6-5-9-15(16)20(21,22)23/h2-12H,13H2,1H3,(H,24,26)
InChIKeyQQCDTRSSFHYBMI-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide
CID 109119106
N,N-diethyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109124460
N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide
CID 109119112
N-benzyl-N-methyl-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109118695
N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide
CID 109119122
N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]acetamide
CID 113048912
N-benzyl-N-methyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118463
N-benzyl-6-(cycloheptylamino)-N-methylpyridazine-3-carboxamide
CID 109119083
N-benzyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109119056
methyl N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]carbamate
CID 113048941
N-benzyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 109119063
2-N-benzyl-2-N-methyl-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112891033

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide (CID 109119135) is N-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide is CN(Cc1ccccc1)C(=O)c1ccc(Nc2ccccc2C(F)(F)F)nn1.
What is the InChIKey of N-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The InChIKey is QQCDTRSSFHYBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-27(13-14-7-3-2-4-8-14)19(28)17-11-12-18(26-25-17)24-16-10-6-5-9-15(16)20(21,22)23/h2-12H,13H2,1H3,(H,24,26).
What are the key properties of N-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
N-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 109119135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).