N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-4-(trifluoromethyl)benzamide

C20H17F3N4O — CID 113040911

IUPACN-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-4-(trifluoromethyl)benzamide
SMILESCc1ccccc1CNc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C20H17F3N4O/c1-13-4-2-3-5-15(13)12-24-17-10-11-18(27-26-17)25-19(28)14-6-8-16(9-7-14)20(21,22)23/h2-11H,12H2,1H3,(H,24,26)(H,25,27,28)
InChIKeyKODNCPWFNCWDHG-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.67
Rot. Bonds5

About N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-4-(trifluoromethyl)benzamide

N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-4-(trifluoromethyl)benzamide (PubChem CID 113040911) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-4-(trifluoromethyl)benzamide
PubChem CID113040911
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC NameN-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-4-(trifluoromethyl)benzamide
SMILESCc1ccccc1CNc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C20H17F3N4O/c1-13-4-2-3-5-15(13)12-24-17-10-11-18(27-26-17)25-19(28)14-6-8-16(9-7-14)20(21,22)23/h2-11H,12H2,1H3,(H,24,26)(H,25,27,28)
InChIKeyKODNCPWFNCWDHG-UHFFFAOYSA-N
XLogP4.67
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2-methylpropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
CID 113038491
N-[6-[(2-fluorophenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041356
3-methoxy-N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113040884
N-[6-[(2-methoxyphenyl)methylamino]pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113041686
6-[(2-methylphenyl)methylamino]pyridazine-3-carboxylic acid
CID 54944511
4-methyl-N-[6-[(4-methylphenyl)methylamino]pyridazin-3-yl]benzamide
CID 113041076
4-methyl-N-[6-[(2-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011554
1-[(2-methylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 98000588
2-[(2-methylphenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109255765
2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982011
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
CID 113051572

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-4-(trifluoromethyl)benzamide (CID 113040911) is N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-4-(trifluoromethyl)benzamide is Cc1ccccc1CNc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)nn1.
What is the InChIKey of N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is KODNCPWFNCWDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-13-4-2-3-5-15(13)12-24-17-10-11-18(27-26-17)25-19(28)14-6-8-16(9-7-14)20(21,22)23/h2-11H,12H2,1H3,(H,24,26)(H,25,27,28).
What are the key properties of N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-4-(trifluoromethyl)benzamide?
N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 386.38 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 113040911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).