N-methyl-6-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridazine-3-carboxamide

C18H19F3N4O — CID 133422244

IUPACN-methyl-6-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC2CCCC2c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C18H19F3N4O/c1-22-17(26)15-9-10-16(25-24-15)23-14-8-4-6-12(14)11-5-2-3-7-13(11)18(19,20)21/h2-3,5,7,9-10,12,14H,4,6,8H2,1H3,(H,22,26)(H,23,25)
InChIKeyAELUDVZLEOWDJL-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.60
Rot. Bonds4

About N-methyl-6-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridazine-3-carboxamide

N-methyl-6-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridazine-3-carboxamide (PubChem CID 133422244) has the molecular formula C18H19F3N4O and a molecular weight of 364.37 g/mol. Its IUPAC name is N-methyl-6-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridazine-3-carboxamide
PubChem CID133422244
Molecular FormulaC18H19F3N4O
Molecular Weight364.37 g/mol
Exact Mass364.15
IUPAC NameN-methyl-6-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC2CCCC2c2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C18H19F3N4O/c1-22-17(26)15-9-10-16(25-24-15)23-14-8-4-6-12(14)11-5-2-3-7-13(11)18(19,20)21/h2-3,5,7,9-10,12,14H,4,6,8H2,1H3,(H,22,26)(H,23,25)
InChIKeyAELUDVZLEOWDJL-UHFFFAOYSA-N
XLogP3.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 133495244
6-[[2-(hydroxymethyl)cyclohexyl]amino]-N-methylpyridazine-3-carboxamide
CID 103718492
2-(methylamino)-N-[2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide;hydrochloride
CID 120705635
2-methyl-N-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide
CID 144740074
6-[[(1R,2R)-2-methoxycycloheptyl]amino]-N-methylpyridazine-3-carboxamide
CID 99848252
2-iodo-N-[(1S)-2-[2-(trifluoromethyl)phenyl]cyclobutyl]benzamide
CID 152994869
N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide
CID 97256128
N-[2-[2-(trifluoromethyl)phenyl]cycloheptyl]propanamide
CID 75399293
6-(2-cyclobutylethylamino)-N-methylpyridazine-3-carboxamide
CID 115689939
methyl 6-[[2-(4-fluorophenyl)cyclopentyl]amino]pyridazine-3-carboxylate
CID 133353653
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
2-(triazol-1-yl)-N-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopentyl]acetamide
CID 97157859

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridazine-3-carboxamide (CID 133422244) is N-methyl-6-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridazine-3-carboxamide is CNC(=O)c1ccc(NC2CCCC2c2ccccc2C(F)(F)F)nn1.
What is the InChIKey of N-methyl-6-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridazine-3-carboxamide?
The InChIKey is AELUDVZLEOWDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O/c1-22-17(26)15-9-10-16(25-24-15)23-14-8-4-6-12(14)11-5-2-3-7-13(11)18(19,20)21/h2-3,5,7,9-10,12,14H,4,6,8H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-methyl-6-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridazine-3-carboxamide?
N-methyl-6-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridazine-3-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[2-[2-(trifluoromethyl)phenyl]cyclopentyl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 133422244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).