N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide;[6-[[3-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone

C84H93F11N8O8 — CID 123491630

IUPACN-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide;[6-[[3-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone
SMILESCC1(C)CCCN(C(=O)c2cccc(COc3cccc(C(F)(F)F)c3)n2)C1.CC1CC(C)CN(C(=O)c2cccc(COc3cccc(C(C)(F)F)c3)n2)C1.CCC1CCCCN1C(=O)c1cccc(COc2cccc(C(F)(F)F)c2)n1.O=C(NC1CCCCC1)c1cccc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C22H26F2N2O2.2C21H23F3N2O2.C20H21F3N2O2/c1-15-10-16(2)13-26(12-15)21(27)20-9-5-7-18(25-20)14-28-19-8-4-6-17(11-19)22(3,23)24;1-20(2)10-5-11-26(14-20)19(27)18-9-4-7-16(25-18)13-28-17-8-3-6-15(12-17)21(22,23)24;1-2-17-9-3-4-12-26(17)20(27)19-11-6-8-16(25-19)14-28-18-10-5-7-15(13-18)21(22,23)24;21-20(22,23)14-6-4-10-17(12-14)27-13-16-9-5-11-18(24-16)19(26)25-15-7-2-1-3-8-15/h4-9,11,15-16H,10,12-14H2,1-3H3;3-4,6-9,12H,5,10-11,13-14H2,1-2H3;5-8,10-11,13,17H,2-4,9,12,14H2,1H3;4-6,9-12,15H,1-3,7-8,13H2,(H,25,26)
InChIKeyTXEQSNQIFUXKLP-UHFFFAOYSA-N
MW1551.69 g/mol
LogP19.66
Rot. Bonds19

About N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide;[6-[[3-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone

N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide;[6-[[3-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone (PubChem CID 123491630) has the molecular formula C84H93F11N8O8 and a molecular weight of 1551.69 g/mol. Its IUPAC name is N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide;[6-[[3-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone.

Molecular Properties

Compound NameN-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide;[6-[[3-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone
PubChem CID123491630
Molecular FormulaC84H93F11N8O8
Molecular Weight1551.69 g/mol
Exact Mass1550.69
IUPAC NameN-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide;[6-[[3-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone
SMILESCC1(C)CCCN(C(=O)c2cccc(COc3cccc(C(F)(F)F)c3)n2)C1.CC1CC(C)CN(C(=O)c2cccc(COc3cccc(C(C)(F)F)c3)n2)C1.CCC1CCCCN1C(=O)c1cccc(COc2cccc(C(F)(F)F)c2)n1.O=C(NC1CCCCC1)c1cccc(COc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C22H26F2N2O2.2C21H23F3N2O2.C20H21F3N2O2/c1-15-10-16(2)13-26(12-15)21(27)20-9-5-7-18(25-20)14-28-19-8-4-6-17(11-19)22(3,23)24;1-20(2)10-5-11-26(14-20)19(27)18-9-4-7-16(25-18)13-28-17-8-3-6-15(12-17)21(22,23)24;1-2-17-9-3-4-12-26(17)20(27)19-11-6-8-16(25-19)14-28-18-10-5-7-15(13-18)21(22,23)24;21-20(22,23)14-6-4-10-17(12-14)27-13-16-9-5-11-18(24-16)19(26)25-15-7-2-1-3-8-15/h4-9,11,15-16H,10,12-14H2,1-3H3;3-4,6-9,12H,5,10-11,13-14H2,1-2H3;5-8,10-11,13,17H,2-4,9,12,14H2,1H3;4-6,9-12,15H,1-3,7-8,13H2,(H,25,26)
InChIKeyTXEQSNQIFUXKLP-UHFFFAOYSA-N
XLogP19.66
TPSA178.51 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds19
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001551.69
LogP ≤ 519.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide;[6-[[3-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone with MolForge

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Related Compounds

Atumelnant
CID 146361282
Lutetium complex of strand 4
CID 146672038
[6-[[3-(1,1-Difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 58210616
(3,3-Dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-yl]methanone
CID 58210720
[6-[[3-(1,1-Difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone
CID 58210775
N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide
CID 58211214
(4-Phenylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-yl]methanone
CID 58211308
[6-[[3-(1,1-Difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 58211623
(5-Ethyl-2-methylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]pyridin-2-yl]methanone
CID 58211723
1-[4-[5-(Piperidin-4-ylmethoxy)-2-pyridinyl]phenyl]ethanone;1-[4-[5-[[1-[1-(trifluoromethyl)cyclobutanecarbonyl]piperidin-4-yl]methoxy]-2-pyridinyl]phenyl]ethanone
CID 90018265
2-[4-(4-fluorophenoxy)-3-[2-(4-fluorophenoxy)-5-[6-methyl-4-[2-(4-methylmorpholin-4-ium-4-yl)ethylcarbamoyl]-2-pyridinyl]phenyl]phenyl]-6-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-4-carboxamide
CID 123177397
[6-[[3-(1,1-Difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(5-ethyl-2-methylpiperidin-1-yl)methanone;[6-[[3-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 123301789

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide;[6-[[3-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone?
The IUPAC name of N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide;[6-[[3-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone (CID 123491630) is N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide;[6-[[3-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone.
What is the SMILES notation for N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide;[6-[[3-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone?
The canonical SMILES for N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide;[6-[[3-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone is CC1(C)CCCN(C(=O)c2cccc(COc3cccc(C(F)(F)F)c3)n2)C1.CC1CC(C)CN(C(=O)c2cccc(COc3cccc(C(C)(F)F)c3)n2)C1.CCC1CCCCN1C(=O)c1cccc(COc2cccc(C(F)(F)F)c2)n1.O=C(NC1CCCCC1)c1cccc(COc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide;[6-[[3-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone?
The InChIKey is TXEQSNQIFUXKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O2.2C21H23F3N2O2.C20H21F3N2O2/c1-15-10-16(2)13-26(12-15)21(27)20-9-5-7-18(25-20)14-28-19-8-4-6-17(11-19)22(3,23)24;1-20(2)10-5-11-26(14-20)19(27)18-9-4-7-16(25-18)13-28-17-8-3-6-15(12-17)21(22,23)24;1-2-17-9-3-4-12-26(17)20(27)19-11-6-8-16(25-19)14-28-18-10-5-7-15(13-18)21(22,23)24;21-20(22,23)14-6-4-10-17(12-14)27-13-16-9-5-11-18(24-16)19(26)25-15-7-2-1-3-8-15/h4-9,11,15-16H,10,12-14H2,1-3H3;3-4,6-9,12H,5,10-11,13-14H2,1-2H3;5-8,10-11,13,17H,2-4,9,12,14H2,1H3;4-6,9-12,15H,1-3,7-8,13H2,(H,25,26).
What are the key properties of N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide;[6-[[3-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone?
N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide;[6-[[3-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone has a molecular weight of 1551.69 g/mol, XLogP of 19.66, 19 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[[3-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide;[6-[[3-(1,1-difluoroethyl)phenoxy]methyl]-2-pyridinyl]-(3,5-dimethylpiperidin-1-yl)methanone;(3,3-dimethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone;(2-ethylpiperidin-1-yl)-[6-[[3-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanone is sourced from PubChem (CID 123491630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).