N-[2-(2-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

C24H25F6N3 — CID 155921264

IUPACN-[2-(2-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)c1cccc(N(CCC2C3CC4CC(C3)CC2C4)c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C24H25F6N3/c25-23(26,27)19-3-1-5-21(31-19)33(22-6-2-4-20(32-22)24(28,29)30)8-7-18-16-10-14-9-15(12-16)13-17(18)11-14/h1-6,14-18H,7-13H2
InChIKeyQKIFXHPAYQRDJR-UHFFFAOYSA-N
MW469.47 g/mol
LogP7.11
Rot. Bonds5

About N-[2-(2-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

N-[2-(2-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 155921264) has the molecular formula C24H25F6N3 and a molecular weight of 469.47 g/mol. Its IUPAC name is N-[2-(2-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID155921264
Molecular FormulaC24H25F6N3
Molecular Weight469.47 g/mol
Exact Mass469.20
IUPAC NameN-[2-(2-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)c1cccc(N(CCC2C3CC4CC(C3)CC2C4)c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C24H25F6N3/c25-23(26,27)19-3-1-5-21(31-19)33(22-6-2-4-20(32-22)24(28,29)30)8-7-18-16-10-14-9-15(12-16)13-17(18)11-14/h1-6,14-18H,7-13H2
InChIKeyQKIFXHPAYQRDJR-UHFFFAOYSA-N
XLogP7.11
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.47
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine 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

Blonanserin
CID 125564
2-(4-Methyl-piperazin-1-yl)-5,6-dihydro-benzo[h]quinoline
CID 10612720
2-(4-Methyl-piperazin-1-yl)-5,6,6a,7,8,9,10,10a-octahydro-benzo[h]quinoline
CID 10613161
6-(4-Benzyl-piperazin-1-yl)-7,8,9,10-tetrahydro-phenanthridine
CID 10618332
4-(4-Methylpiperazin-1-yl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 10756148
1-(6-Adamantan-1-yl-pyridin-2-yl)-4-methyl-piperazine
CID 10781362
6-(4-Methyl-piperazin-1-yl)-7,8,8a,9,10,11,12,12a-octahydro-benzo[k]phenanthridine
CID 44287156
1-[4-(4-Fluorophenyl)butyl]-4-(6-phenyl-2-pyridinyl)piperazine;hydrochloride
CID 162645251
4,6-Diphenyl-2-(piperidin-1-yl)pyridine-3-carbonitrile
CID 2839510
2-(Diethylamino)-6-phenyl-4-(trifluoromethyl)nicotinonitrile
CID 1477171
6-(4-Methyl-piperazin-1-yl)-1,2,3,4,7,8-hexahydro-benzo[k]phenanthridine
CID 10616666
6-Methyl-3-(2-methylphenyl)-1-(4-methylpiperazin-1-yl)isoquinoline
CID 44360628

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of N-[2-(2-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 155921264) is N-[2-(2-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for N-[2-(2-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for N-[2-(2-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is FC(F)(F)c1cccc(N(CCC2C3CC4CC(C3)CC2C4)c2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of N-[2-(2-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is QKIFXHPAYQRDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F6N3/c25-23(26,27)19-3-1-5-21(31-19)33(22-6-2-4-20(32-22)24(28,29)30)8-7-18-16-10-14-9-15(12-16)13-17(18)11-14/h1-6,14-18H,7-13H2.
What are the key properties of N-[2-(2-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
N-[2-(2-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 469.47 g/mol, XLogP of 7.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 155921264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).