N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone

C101H96F12N12O9 — CID 159588365

IUPACN-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)ccn1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C28H29F3N4O3.C25H23F3N2O2.2C24H22F3N3O2/c1-19-5-6-23(32-27(36)20-3-2-4-22(15-20)28(29,30)31)18-24(19)21-16-25(34-7-11-37-12-8-34)33-26(17-21)35-9-13-38-14-10-35;1-17-5-6-20(23(31)14-18-3-2-4-21(13-18)25(26,27)28)15-22(17)19-7-8-29-24(16-19)30-9-11-32-12-10-30;1-16-5-6-20(29-23(31)18-3-2-4-19(13-18)24(25,26)27)15-21(16)17-7-8-28-22(14-17)30-9-11-32-12-10-30;1-16-5-6-19(29-23(31)17-3-2-4-18(13-17)24(25,26)27)14-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-6,15-18H,7-14H2,1H3,(H,32,36);2-8,13,15-16H,9-12,14H2,1H3;2*2-8,13-15H,9-12H2,1H3,(H,29,31)
InChIKeyMJXPATRVWKVBFD-UHFFFAOYSA-N
MW1849.93 g/mol
LogP20.67
Rot. Bonds18

About N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone

N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 159588365) has the molecular formula C101H96F12N12O9 and a molecular weight of 1849.93 g/mol. Its IUPAC name is N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound NameN-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID159588365
Molecular FormulaC101H96F12N12O9
Molecular Weight1849.93 g/mol
Exact Mass1848.72
IUPAC NameN-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)ccn1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C28H29F3N4O3.C25H23F3N2O2.2C24H22F3N3O2/c1-19-5-6-23(32-27(36)20-3-2-4-22(15-20)28(29,30)31)18-24(19)21-16-25(34-7-11-37-12-8-34)33-26(17-21)35-9-13-38-14-10-35;1-17-5-6-20(23(31)14-18-3-2-4-21(13-18)25(26,27)28)15-22(17)19-7-8-29-24(16-19)30-9-11-32-12-10-30;1-16-5-6-20(29-23(31)18-3-2-4-19(13-18)24(25,26)27)15-21(16)17-7-8-28-22(14-17)30-9-11-32-12-10-30;1-16-5-6-19(29-23(31)17-3-2-4-18(13-17)24(25,26)27)14-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-6,15-18H,7-14H2,1H3,(H,32,36);2-8,13,15-16H,9-12,14H2,1H3;2*2-8,13-15H,9-12H2,1H3,(H,29,31)
InChIKeyMJXPATRVWKVBFD-UHFFFAOYSA-N
XLogP20.67
TPSA218.28 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001849.93
LogP ≤ 520.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone with MolForge

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Related Compounds

4-methyl-N-(2-methyl-3-(trifluoromethyl)phenyl)-3-(2-(3-morpholinopropylamino)quinazolin-6-yl)benzamide
CID 16086116
N-[4-methyl-3-(6-morpholin-4-ylpyrimidin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 78325057
N-[4-methyl-3-(2-morpholin-4-ylpyridin-4-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 86296699
4-methyl-3-(2-(methyl(3-morpholinopropyl)amino)quinazolin-6-yl)-N-(2-methyl-3-(trifluoromethyl)phenyl)benzamide
CID 16086117
N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-4-[[4-pyridin-3-yl-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 127029265
N-[3-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-methylphenyl]-3-(4-ethylpiperazin-1-yl)-5-(trifluoromethyl)benzamide
CID 86295253
N-[3-[6-(2,2-dimethylmorpholin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 86296096
N-[4-methyl-3-[6-[(2R)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 86296310
N-[4-methyl-3-[6-[(2S)-2-methylmorpholin-4-yl]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]-3-(trifluoromethyl)benzamide
CID 86296311
4-methyl-3-(2-morpholin-4-ylpyridin-4-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 86296698
3-(difluoromethyl)-N-[4-methyl-3-(2-morpholin-4-ylpyridin-4-yl)phenyl]benzamide
CID 86297090
4-(fluoromethyl)-3-(2-morpholinopyridin-4-yl)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 86297690

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone (CID 159588365) is N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone is Cc1ccc(C(=O)Cc2cccc(C(F)(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)ccn1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1ccnc(N2CCOCC2)c1.
What is the InChIKey of N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is MJXPATRVWKVBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29F3N4O3.C25H23F3N2O2.2C24H22F3N3O2/c1-19-5-6-23(32-27(36)20-3-2-4-22(15-20)28(29,30)31)18-24(19)21-16-25(34-7-11-37-12-8-34)33-26(17-21)35-9-13-38-14-10-35;1-17-5-6-20(23(31)14-18-3-2-4-21(13-18)25(26,27)28)15-22(17)19-7-8-29-24(16-19)30-9-11-32-12-10-30;1-16-5-6-20(29-23(31)18-3-2-4-19(13-18)24(25,26)27)15-21(16)17-7-8-28-22(14-17)30-9-11-32-12-10-30;1-16-5-6-19(29-23(31)17-3-2-4-18(13-17)24(25,26)27)14-21(16)22-15-20(7-8-28-22)30-9-11-32-12-10-30/h2-6,15-18H,7-14H2,1H3,(H,32,36);2-8,13,15-16H,9-12,14H2,1H3;2*2-8,13-15H,9-12H2,1H3,(H,29,31).
What are the key properties of N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone?
N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 1849.93 g/mol, XLogP of 20.67, 18 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 159588365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).