4-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide

C24H32F3N7O — CID 59242527

IUPAC4-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESCNc1nc(NC2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C24H32F3N7O/c1-28-21-31-22(33-23(32-21)34-13-5-2-6-14-34)30-18-11-9-16(10-12-18)20(35)29-15-17-7-3-4-8-19(17)24(25,26)27/h3-4,7-8,16,18H,2,5-6,9-15H2,1H3,(H,29,35)(H2,28,30,31,32,33)
InChIKeyLPNBLJZMUCAKOK-UHFFFAOYSA-N
MW491.56 g/mol
LogP4.21
Rot. Bonds7

About 4-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide

4-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide (PubChem CID 59242527) has the molecular formula C24H32F3N7O and a molecular weight of 491.56 g/mol. Its IUPAC name is 4-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
PubChem CID59242527
Molecular FormulaC24H32F3N7O
Molecular Weight491.56 g/mol
Exact Mass491.26
IUPAC Name4-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
SMILESCNc1nc(NC2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C24H32F3N7O/c1-28-21-31-22(33-23(32-21)34-13-5-2-6-14-34)30-18-11-9-16(10-12-18)20(35)29-15-17-7-3-4-8-19(17)24(25,26)27/h3-4,7-8,16,18H,2,5-6,9-15H2,1H3,(H,29,35)(H2,28,30,31,32,33)
InChIKeyLPNBLJZMUCAKOK-UHFFFAOYSA-N
XLogP4.21
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide 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

1-[4-Methyl-6-(Methylamino)-1,3,5-Triazin-2-Yl]-N-[2-(Trifluoromethyl)benzyl]piperidine-4-Carboxamide
CID 59447733
1-[4-(methylamino)-6-phenyl-1,3,5-triazin-2-yl]-N-{[2-(trifluoromethyl)phenyl]methyl}-4-piperidinecarboxamide
CID 25261287
1-[4-cyclohexyl-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 71655442
1-[4-(dimethylamino)-6-methyl-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 71655443
1-[4-methyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 71655444
4-[[[4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 164629072
trans-4-(4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-ylamino)-N-(2-(trifluoromethyl)benzyl)cyclohexanecarboxamide
CID 25117871
3-(4-(methylamino)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-ylamino)-N-(2-(trifluoromethyl)benzyl)cyclohexanecarboxamide
CID 25118226
4-[[4-(methylamino)-6-[[(2R)-2-phenylpropyl]amino]-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 25118941
4-[[4-(methylamino)-6-[[(2R)-2-phenylpropyl]amino]-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethylsulfanyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 25118942
1-[4-[2-(dimethylamino)ethyl-methylamino]-6-(methylamino)-1,3,5-triazin-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 25261449
1-[4-(methylamino)-6-(4-methyl-1-piperazinyl)-1,3,5-triazin-2-yl]-N-{[2-(trifluoromethyl)phenyl]methyl}-4-piperidinecarboxamide
CID 25261451

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide (CID 59242527) is 4-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide is CNc1nc(NC2CCC(C(=O)NCc3ccccc3C(F)(F)F)CC2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is LPNBLJZMUCAKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F3N7O/c1-28-21-31-22(33-23(32-21)34-13-5-2-6-14-34)30-18-11-9-16(10-12-18)20(35)29-15-17-7-3-4-8-19(17)24(25,26)27/h3-4,7-8,16,18H,2,5-6,9-15H2,1H3,(H,29,35)(H2,28,30,31,32,33).
What are the key properties of 4-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide?
4-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 491.56 g/mol, XLogP of 4.21, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 59242527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).