3-(dimethylamino)-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide

C21H25F3N4O — CID 167109293

IUPAC3-(dimethylamino)-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide
SMILESCN(C)c1cccc(C(=O)NC2CCC(Nc3ccnc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C21H25F3N4O/c1-28(2)18-5-3-4-14(12-18)20(29)27-16-8-6-15(7-9-16)26-17-10-11-25-19(13-17)21(22,23)24/h3-5,10-13,15-16H,6-9H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyHHPHWNXEHPRGAO-UHFFFAOYSA-N
MW406.45 g/mol
LogP4.32
Rot. Bonds5

About 3-(dimethylamino)-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide

3-(dimethylamino)-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide (PubChem CID 167109293) has the molecular formula C21H25F3N4O and a molecular weight of 406.45 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide
PubChem CID167109293
Molecular FormulaC21H25F3N4O
Molecular Weight406.45 g/mol
Exact Mass406.20
IUPAC Name3-(dimethylamino)-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide
SMILESCN(C)c1cccc(C(=O)NC2CCC(Nc3ccnc(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C21H25F3N4O/c1-28(2)18-5-3-4-14(12-18)20(29)27-16-8-6-15(7-9-16)26-17-10-11-25-19(13-17)21(22,23)24/h3-5,10-13,15-16H,6-9H2,1-2H3,(H,25,26)(H,27,29)
InChIKeyHHPHWNXEHPRGAO-UHFFFAOYSA-N
XLogP4.32
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(dimethylamino)-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetamido-N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide
CID 163399498
3-(dimethylamino)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634321
N-cyclopropyl-3-(cyclopropylamino)benzamide
CID 103438850
N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-3-(2-methylpropanoylamino)benzamide
CID 166008899
2-(dimethylamino)-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 163267072
N-[(1R,3S)-3-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-(dimethylamino)benzamide
CID 163229236
3-cyano-N-[4-[[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]benzamide;sulfane
CID 167623392
N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-4-chlorobenzamide;sulfane
CID 167653712
3-(dimethylamino)-N-[(3S)-piperidin-3-yl]benzamide
CID 104982407
3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 164558091
2-methyl-N-[4-[methyl-[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 167099514
N-cyclopropyl-3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide
CID 71940029

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide (CID 167109293) is 3-(dimethylamino)-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide is CN(C)c1cccc(C(=O)NC2CCC(Nc3ccnc(C(F)(F)F)c3)CC2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide?
The InChIKey is HHPHWNXEHPRGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N4O/c1-28(2)18-5-3-4-14(12-18)20(29)27-16-8-6-15(7-9-16)26-17-10-11-25-19(13-17)21(22,23)24/h3-5,10-13,15-16H,6-9H2,1-2H3,(H,25,26)(H,27,29).
What are the key properties of 3-(dimethylamino)-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide?
3-(dimethylamino)-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide has a molecular weight of 406.45 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 167109293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).