N-[2-(1-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

C24H25F6N3 — CID 155921261

IUPACN-[2-(1-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)c1cccc(N(CCC23CC4CC(CC(C4)C2)C3)c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C24H25F6N3/c25-23(26,27)18-3-1-5-20(31-18)33(21-6-2-4-19(32-21)24(28,29)30)8-7-22-12-15-9-16(13-22)11-17(10-15)14-22/h1-6,15-17H,7-14H2
InChIKeyWFSIWUFDNWKPAE-UHFFFAOYSA-N
MW469.47 g/mol
LogP7.26
Rot. Bonds5

About N-[2-(1-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

N-[2-(1-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 155921261) has the molecular formula C24H25F6N3 and a molecular weight of 469.47 g/mol. Its IUPAC name is N-[2-(1-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(1-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID155921261
Molecular FormulaC24H25F6N3
Molecular Weight469.47 g/mol
Exact Mass469.20
IUPAC NameN-[2-(1-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)c1cccc(N(CCC23CC4CC(CC(C4)C2)C3)c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C24H25F6N3/c25-23(26,27)18-3-1-5-20(31-18)33(21-6-2-4-19(32-21)24(28,29)30)8-7-22-12-15-9-16(13-22)11-17(10-15)14-22/h1-6,15-17H,7-14H2
InChIKeyWFSIWUFDNWKPAE-UHFFFAOYSA-N
XLogP7.26
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 ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(1-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine with MolForge

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Related Compounds

4-Adamantan-1-yl-2-(4-methyl-piperazin-1-yl)-quinoline
CID 10689971
1-(6-Adamantan-1-yl-pyridin-2-yl)-4-methyl-piperazine
CID 10781362
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
6-[5-[(4,4-Difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl]-4-methylpyridin-2-amine
CID 172994066
1-[6-[3,5-Bis(trifluoromethyl)phenyl]-2-pyridinyl]-4-methylpiperazine
CID 132453062
1-[6-(Cyclohexylmethyl)-4-phenyl-2-pyridinyl]-4-methylpiperazine
CID 172456377
6-(2,4-difluorophenyl)-N-[6-(2,4-difluorophenyl)-2-pyridinyl]-N-phenylpyridin-2-amine
CID 23135815
1-[4-(4-Fluorophenyl)butyl]-4-(6-methyl-2-pyridinyl)piperazine
CID 9797464
2-[Benzyl(methyl)amino]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 71732417
2-N,2-N,6-N,6-N-tetrakis[(2,3,4,5,6-pentafluorophenyl)methyl]pyridine-2,6-diamine
CID 123336608
4-Benzyl-2-phenyl-1-[3-(trifluoromethyl)pyridin-2-yl]piperidine
CID 129842448

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of N-[2-(1-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 155921261) is N-[2-(1-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for N-[2-(1-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for N-[2-(1-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is FC(F)(F)c1cccc(N(CCC23CC4CC(CC(C4)C2)C3)c2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of N-[2-(1-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is WFSIWUFDNWKPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F6N3/c25-23(26,27)18-3-1-5-20(31-18)33(21-6-2-4-19(32-21)24(28,29)30)8-7-22-12-15-9-16(13-22)11-17(10-15)14-22/h1-6,15-17H,7-14H2.
What are the key properties of N-[2-(1-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
N-[2-(1-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 469.47 g/mol, XLogP of 7.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyl)ethyl]-6-(trifluoromethyl)-N-[6-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 155921261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).