6-(dimethylamino)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridazine-3-carboxamide

C20H24F3N5O — CID 56511189

IUPAC6-(dimethylamino)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridazine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nn1
InChIInChI=1S/C20H24F3N5O/c1-27(2)18-7-6-17(25-26-18)19(29)24-16-8-10-28(11-9-16)13-14-4-3-5-15(12-14)20(21,22)23/h3-7,12,16H,8-11,13H2,1-2H3,(H,24,29)
InChIKeyQYMLQNWSYFUFML-UHFFFAOYSA-N
MW407.44 g/mol
LogP2.96
Rot. Bonds5

About 6-(dimethylamino)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridazine-3-carboxamide

6-(dimethylamino)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridazine-3-carboxamide (PubChem CID 56511189) has the molecular formula C20H24F3N5O and a molecular weight of 407.44 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridazine-3-carboxamide
PubChem CID56511189
Molecular FormulaC20H24F3N5O
Molecular Weight407.44 g/mol
Exact Mass407.19
IUPAC Name6-(dimethylamino)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridazine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nn1
InChIInChI=1S/C20H24F3N5O/c1-27(2)18-7-6-17(25-26-18)19(29)24-16-8-10-28(11-9-16)13-14-4-3-5-15(12-14)20(21,22)23/h3-7,12,16H,8-11,13H2,1-2H3,(H,24,29)
InChIKeyQYMLQNWSYFUFML-UHFFFAOYSA-N
XLogP2.96
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946515
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55945762
N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 163345849
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 55945248
4-(cyclopropylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946520
2-cyclopropyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 86891609
2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 86812682
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946135
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
3-chloro-4,5-dimethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946382
2-amino-2-(oxan-4-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide;dihydrochloride
CID 120798427

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridazine-3-carboxamide?
The IUPAC name of 6-(dimethylamino)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridazine-3-carboxamide (CID 56511189) is 6-(dimethylamino)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(dimethylamino)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(dimethylamino)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridazine-3-carboxamide is CN(C)c1ccc(C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)nn1.
What is the InChIKey of 6-(dimethylamino)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridazine-3-carboxamide?
The InChIKey is QYMLQNWSYFUFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O/c1-27(2)18-7-6-17(25-26-18)19(29)24-16-8-10-28(11-9-16)13-14-4-3-5-15(12-14)20(21,22)23/h3-7,12,16H,8-11,13H2,1-2H3,(H,24,29).
What are the key properties of 6-(dimethylamino)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridazine-3-carboxamide?
6-(dimethylamino)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridazine-3-carboxamide has a molecular weight of 407.44 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 56511189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).