N-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide

C23H24F3N7O2 — CID 121312631

IUPACN-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
SMILESCNC(=O)c1cccc(Nc2ncnc(N3CCN(Cc4ccc(OC(F)(F)F)cc4)CC3)n2)c1
InChIInChI=1S/C23H24F3N7O2/c1-27-20(34)17-3-2-4-18(13-17)30-21-28-15-29-22(31-21)33-11-9-32(10-12-33)14-16-5-7-19(8-6-16)35-23(24,25)26/h2-8,13,15H,9-12,14H2,1H3,(H,27,34)(H,28,29,30,31)
InChIKeyAPRGIKUNMHHQKM-UHFFFAOYSA-N
MW487.49 g/mol
LogP3.20
Rot. Bonds7

About N-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide

N-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide (PubChem CID 121312631) has the molecular formula C23H24F3N7O2 and a molecular weight of 487.49 g/mol. Its IUPAC name is N-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
PubChem CID121312631
Molecular FormulaC23H24F3N7O2
Molecular Weight487.49 g/mol
Exact Mass487.19
IUPAC NameN-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
SMILESCNC(=O)c1cccc(Nc2ncnc(N3CCN(Cc4ccc(OC(F)(F)F)cc4)CC3)n2)c1
InChIInChI=1S/C23H24F3N7O2/c1-27-20(34)17-3-2-4-18(13-17)30-21-28-15-29-22(31-21)33-11-9-32(10-12-33)14-16-5-7-19(8-6-16)35-23(24,25)26/h2-8,13,15H,9-12,14H2,1H3,(H,27,34)(H,28,29,30,31)
InChIKeyAPRGIKUNMHHQKM-UHFFFAOYSA-N
XLogP3.20
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]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

4-[[[4-[(3,4-dimethoxyphenyl)methylamino]-1,3,5-triazin-2-yl]amino]methyl]-N-ethyl-N-(3-methylphenyl)benzamide
CID 46848247
N-methyl-3-[[4-[3-[4-(trifluoromethoxy)phenoxy]propylamino]-1,3,5-triazin-2-yl]amino]benzamide
CID 53371553
3-[[4-[3-(4-fluoro-2-methylphenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
CID 53371555
N-methyl-3-[[4-[4-[3-(trifluoromethoxy)phenyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
CID 53371693
N-methyl-3-[[4-(3-phenoxyazetidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
CID 53371944
N-methyl-3-[[4-[3-[4-(trifluoromethyl)phenoxy]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
CID 53371946
3-[[4-[3-(4-fluorophenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-methoxyethyl)benzamide
CID 53371949
N-methyl-3-[[4-[6-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-1,3,5-triazin-2-yl]amino]benzamide
CID 53372078
N-methyl-3-[[4-[3-(4-propan-2-ylphenoxy)azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
CID 53372079
3-[[4-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-methylbenzamide
CID 53372081
N-methyl-3-[[4-(4-phenoxypiperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
CID 53372082
N-methyl-3-[[4-[3-[[4-(trifluoromethyl)phenoxy]methyl]azetidin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide
CID 53373398

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide?
The IUPAC name of N-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide (CID 121312631) is N-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide.
What is the SMILES notation for N-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide?
The canonical SMILES for N-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide is CNC(=O)c1cccc(Nc2ncnc(N3CCN(Cc4ccc(OC(F)(F)F)cc4)CC3)n2)c1.
What is the InChIKey of N-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide?
The InChIKey is APRGIKUNMHHQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O2/c1-27-20(34)17-3-2-4-18(13-17)30-21-28-15-29-22(31-21)33-11-9-32(10-12-33)14-16-5-7-19(8-6-16)35-23(24,25)26/h2-8,13,15H,9-12,14H2,1H3,(H,27,34)(H,28,29,30,31).
What are the key properties of N-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide?
N-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide has a molecular weight of 487.49 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-1,3,5-triazin-2-yl]amino]benzamide is sourced from PubChem (CID 121312631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).