N-[2-(1-adamantyloxy)ethyl]-4-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

C24H25F6N3O — CID 138756629

IUPACN-[2-(1-adamantyloxy)ethyl]-4-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)c1ccnc(N(CCOC23CC4CC(CC(C4)C2)C3)c2cc(C(F)(F)F)ccn2)c1
InChIInChI=1S/C24H25F6N3O/c25-23(26,27)18-1-3-31-20(10-18)33(21-11-19(2-4-32-21)24(28,29)30)5-6-34-22-12-15-7-16(13-22)9-17(8-15)14-22/h1-4,10-11,15-17H,5-9,12-14H2
InChIKeyKZQOTHOIUBKTGE-UHFFFAOYSA-N
MW485.47 g/mol
LogP6.64
Rot. Bonds6

About N-[2-(1-adamantyloxy)ethyl]-4-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

N-[2-(1-adamantyloxy)ethyl]-4-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 138756629) has the molecular formula C24H25F6N3O and a molecular weight of 485.47 g/mol. Its IUPAC name is N-[2-(1-adamantyloxy)ethyl]-4-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(1-adamantyloxy)ethyl]-4-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID138756629
Molecular FormulaC24H25F6N3O
Molecular Weight485.47 g/mol
Exact Mass485.19
IUPAC NameN-[2-(1-adamantyloxy)ethyl]-4-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)c1ccnc(N(CCOC23CC4CC(CC(C4)C2)C3)c2cc(C(F)(F)F)ccn2)c1
InChIInChI=1S/C24H25F6N3O/c25-23(26,27)18-1-3-31-20(10-18)33(21-11-19(2-4-32-21)24(28,29)30)5-6-34-22-12-15-7-16(13-22)9-17(8-15)14-22/h1-4,10-11,15-17H,5-9,12-14H2
InChIKeyKZQOTHOIUBKTGE-UHFFFAOYSA-N
XLogP6.64
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.47
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-(pyridinyl)-piperazine
CID 4913097
4-(5-(1-Azabicyclo[2.2.2]oct-2-en-3-yl)pyridin-2-yl)morpholine
CID 45102788
4-[5-(2,3-Difluorophenyl)-2-pyridinyl]morpholine
CID 45486216
4-[5-(2,4-Difluorophenyl)-2-pyridinyl]morpholine
CID 45486220
4-Benzyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]morpholine
CID 2810101
9-[(4-Fluorophenyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 97450933
N-[2-(adamantan-1-yloxy)ethyl]-5-fluoropyridin-2-amine
CID 138756401
N-[2-(adamantan-1-yloxy)ethyl]-3-fluoropyridin-2-amine
CID 138756402
N-[2-(adamantan-1-yloxy)ethyl]-6-(trifluoromethyl)pyridin-2-amine
CID 138756470
N-[2-(adamantan-1-yloxy)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 138756471
N-[2-(adamantan-1-yloxy)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 138756472
N-[2-(adamantan-1-yloxy)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 138756473

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-adamantyloxy)ethyl]-4-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of N-[2-(1-adamantyloxy)ethyl]-4-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 138756629) is N-[2-(1-adamantyloxy)ethyl]-4-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for N-[2-(1-adamantyloxy)ethyl]-4-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for N-[2-(1-adamantyloxy)ethyl]-4-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is FC(F)(F)c1ccnc(N(CCOC23CC4CC(CC(C4)C2)C3)c2cc(C(F)(F)F)ccn2)c1.
What is the InChIKey of N-[2-(1-adamantyloxy)ethyl]-4-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is KZQOTHOIUBKTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F6N3O/c25-23(26,27)18-1-3-31-20(10-18)33(21-11-19(2-4-32-21)24(28,29)30)5-6-34-22-12-15-7-16(13-22)9-17(8-15)14-22/h1-4,10-11,15-17H,5-9,12-14H2.
What are the key properties of N-[2-(1-adamantyloxy)ethyl]-4-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
N-[2-(1-adamantyloxy)ethyl]-4-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 485.47 g/mol, XLogP of 6.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-adamantyloxy)ethyl]-4-(trifluoromethyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 138756629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).