ethane;4-methoxy-N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridin-3-amine

C26H28F6N4O — CID 176922818

IUPACethane;4-methoxy-N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridin-3-amine
SMILESCC.COc1ccncc1N(c1ccc(C(F)(F)F)cc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C24H22F6N4O.C2H6/c1-35-21-8-11-31-15-20(21)34(18-5-2-16(3-6-18)23(25,26)27)19-9-12-33(13-10-19)22-7-4-17(14-32-22)24(28,29)30;1-2/h2-8,11,14-15,19H,9-10,12-13H2,1H3;1-2H3
InChIKeyBXMSKTKWYWOMNR-UHFFFAOYSA-N
MW526.53 g/mol
LogP7.36
Rot. Bonds5

About ethane;4-methoxy-N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridin-3-amine

ethane;4-methoxy-N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridin-3-amine (PubChem CID 176922818) has the molecular formula C26H28F6N4O and a molecular weight of 526.53 g/mol. Its IUPAC name is ethane;4-methoxy-N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridin-3-amine.

Molecular Properties

Compound Nameethane;4-methoxy-N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridin-3-amine
PubChem CID176922818
Molecular FormulaC26H28F6N4O
Molecular Weight526.53 g/mol
Exact Mass526.22
IUPAC Nameethane;4-methoxy-N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridin-3-amine
SMILESCC.COc1ccncc1N(c1ccc(C(F)(F)F)cc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C24H22F6N4O.C2H6/c1-35-21-8-11-31-15-20(21)34(18-5-2-16(3-6-18)23(25,26)27)19-9-12-33(13-10-19)22-7-4-17(14-32-22)24(28,29)30;1-2/h2-8,11,14-15,19H,9-10,12-13H2,1H3;1-2H3
InChIKeyBXMSKTKWYWOMNR-UHFFFAOYSA-N
XLogP7.36
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.53
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;4-[N-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]cyclohexan-1-one
CID 176922732
(2S)-4-[4-[N-(4-methoxy-3-pyridinyl)-4-(trifluoromethyl)anilino]piperidine-1-carbonyl]bicyclo[3.1.1]heptane-2-carbonitrile
CID 176922843
6-[4-[4-(1,1-difluoroethyl)-N-(4-prop-1-en-2-yl-3-pyridinyl)anilino]piperidin-1-yl]pyridine-3-carbonitrile;ethane
CID 176922745
2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 171705085
[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]azanium
CID 28873857
N-[4-(difluoromethoxy)phenyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)pyridin-3-amine;propane
CID 176922993
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
1-(3-chloro-4-pyridinyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133352551
1-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 829355
N-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62592662
5-methoxy-2-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxypyrimidine
CID 163345898
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridin-3-amine?
The IUPAC name of ethane;4-methoxy-N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridin-3-amine (CID 176922818) is ethane;4-methoxy-N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridin-3-amine.
What is the SMILES notation for ethane;4-methoxy-N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridin-3-amine?
The canonical SMILES for ethane;4-methoxy-N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridin-3-amine is CC.COc1ccncc1N(c1ccc(C(F)(F)F)cc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of ethane;4-methoxy-N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridin-3-amine?
The InChIKey is BXMSKTKWYWOMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F6N4O.C2H6/c1-35-21-8-11-31-15-20(21)34(18-5-2-16(3-6-18)23(25,26)27)19-9-12-33(13-10-19)22-7-4-17(14-32-22)24(28,29)30;1-2/h2-8,11,14-15,19H,9-10,12-13H2,1H3;1-2H3.
What are the key properties of ethane;4-methoxy-N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridin-3-amine?
ethane;4-methoxy-N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridin-3-amine has a molecular weight of 526.53 g/mol, XLogP of 7.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-N-[4-(trifluoromethyl)phenyl]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridin-3-amine is sourced from PubChem (CID 176922818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).