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

C16H17F3N4O — CID 113038491

IUPACN-[6-(2-methylpropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
SMILESCC(C)CNc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C16H17F3N4O/c1-10(2)9-20-13-7-8-14(23-22-13)21-15(24)11-3-5-12(6-4-11)16(17,18)19/h3-8,10H,9H2,1-2H3,(H,20,22)(H,21,23,24)
InChIKeyYVSIAAOCGQBQTK-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.82
Rot. Bonds5

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

N-[6-(2-methylpropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide (PubChem CID 113038491) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[6-(2-methylpropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-(2-methylpropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
PubChem CID113038491
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC NameN-[6-(2-methylpropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
SMILESCC(C)CNc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C16H17F3N4O/c1-10(2)9-20-13-7-8-14(23-22-13)21-15(24)11-3-5-12(6-4-11)16(17,18)19/h3-8,10H,9H2,1-2H3,(H,20,22)(H,21,23,24)
InChIKeyYVSIAAOCGQBQTK-UHFFFAOYSA-N
XLogP3.82
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid Pentylamide
CID 11698083
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (3-METHYLBUTYL)AMIDE
CID 16035765
6-[4-(2-TRIFLUOROMETHYLBENZYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (3-METHYLBUTYL)AMIDE
CID 16733788
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid Hexylamide
CID 67012215
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid Heptylamide
CID 67012400
6-[4-(2-FLUOROBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11153712
6-[4-(2,5-DIFLUOROBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-CYCLOPROPYLETHYL)AMIDE
CID 11223757
3-[6-[[2-(4-Fluorophenyl)-2-methylpropyl]amino]pyridazin-3-yl]benzamide
CID 53496869
4-METHYLPENTANOIC Acid {6-[4-(2-TRIFLUOROMETHYLBENZOYL)-PIPERAZIN-1-YL]PYRIDAZIN-3-YL}AMIDE
CID 16035658
11-(6-imino-3-methylpyridazin-1-yl)-N-(6-phenylpyridazin-3-yl)undecanamide
CID 44343747
2,4-difluoro-N-(4-(6-(pyrrolidin-1-yl)pyridazin-3-yl)phenyl)benzamide
CID 7593303
1-(6-{4-[3-(Trifluoromethyl)benzoyl]piperazin-1-yl}pyridazin-3-yl)azepane
CID 16799789

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methylpropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(2-methylpropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide (CID 113038491) is N-[6-(2-methylpropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(2-methylpropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(2-methylpropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide is CC(C)CNc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)nn1.
What is the InChIKey of N-[6-(2-methylpropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is YVSIAAOCGQBQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-10(2)9-20-13-7-8-14(23-22-13)21-15(24)11-3-5-12(6-4-11)16(17,18)19/h3-8,10H,9H2,1-2H3,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-(2-methylpropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide?
N-[6-(2-methylpropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 338.33 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methylpropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 113038491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).