N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C135H145F12N21O16 — CID 157288435

IUPACN-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(C2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(NCCO)nc(C2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C2CCOCC2)nc(N(CCO)CCO)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(C2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(C2CCOCC2)c1
InChIInChI=1S/C29H33N5O3.C28H31F3N4O4.C27H28F3N3O3.C26H27F3N4O3.C25H26F3N5O3/c1-19-4-5-23(33-28(36)21-6-9-31-26(15-21)29(2,3)18-30)17-24(19)22-14-25(20-7-12-37-13-8-20)34-27(16-22)32-10-11-35;1-18-2-3-22(33-27(38)20-4-7-32-25(15-20)28(29,30)31)17-23(18)21-14-24(19-5-12-39-13-6-19)34-26(16-21)35(8-10-36)9-11-37;1-17-5-6-22(32-26(35)19-3-2-4-21(13-19)27(28,29)30)16-23(17)20-14-24(18-7-11-36-12-8-18)33-25(15-20)31-9-10-34;1-16-22(19-12-23(17-5-9-36-10-6-17)33-24(13-19)30-7-8-34)14-21(15-31-16)32-25(35)18-3-2-4-20(11-18)26(27,28)29;1-15-20(18-10-21(16-3-8-36-9-4-16)33-23(12-18)30-6-7-34)13-19(14-31-15)32-24(35)17-2-5-29-22(11-17)25(26,27)28/h4-6,9,14-17,20,35H,7-8,10-13H2,1-3H3,(H,32,34)(H,33,36);2-4,7,14-17,19,36-37H,5-6,8-13H2,1H3,(H,33,38);2-6,13-16,18,34H,7-12H2,1H3,(H,31,33)(H,32,35);2-4,11-15,17,34H,5-10H2,1H3,(H,30,33)(H,32,35);2,5,10-14,16,34H,3-4,6-9H2,1H3,(H,30,33)(H,32,35)
InChIKeyBAMYPYDSMUNJEZ-UHFFFAOYSA-N
MW2545.75 g/mol
LogP24.28
Rot. Bonds38

About N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 157288435) has the molecular formula C135H145F12N21O16 and a molecular weight of 2545.75 g/mol. Its IUPAC name is N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID157288435
Molecular FormulaC135H145F12N21O16
Molecular Weight2545.75 g/mol
Exact Mass2544.10
IUPAC NameN-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(C2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(NCCO)nc(C2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C2CCOCC2)nc(N(CCO)CCO)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(C2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(C2CCOCC2)c1
InChIInChI=1S/C29H33N5O3.C28H31F3N4O4.C27H28F3N3O3.C26H27F3N4O3.C25H26F3N5O3/c1-19-4-5-23(33-28(36)21-6-9-31-26(15-21)29(2,3)18-30)17-24(19)22-14-25(20-7-12-37-13-8-20)34-27(16-22)32-10-11-35;1-18-2-3-22(33-27(38)20-4-7-32-25(15-20)28(29,30)31)17-23(18)21-14-24(19-5-12-39-13-6-19)34-26(16-21)35(8-10-36)9-11-37;1-17-5-6-22(32-26(35)19-3-2-4-21(13-19)27(28,29)30)16-23(17)20-14-24(18-7-11-36-12-8-18)33-25(15-20)31-9-10-34;1-16-22(19-12-23(17-5-9-36-10-6-17)33-24(13-19)30-7-8-34)14-21(15-31-16)32-25(35)18-3-2-4-20(11-18)26(27,28)29;1-15-20(18-10-21(16-3-8-36-9-4-16)33-23(12-18)30-6-7-34)13-19(14-31-15)32-24(35)17-2-5-29-22(11-17)25(26,27)28/h4-6,9,14-17,20,35H,7-8,10-13H2,1-3H3,(H,32,34)(H,33,36);2-4,7,14-17,19,36-37H,5-6,8-13H2,1H3,(H,33,38);2-6,13-16,18,34H,7-12H2,1H3,(H,31,33)(H,32,35);2-4,11-15,17,34H,5-10H2,1H3,(H,30,33)(H,32,35);2,5,10-14,16,34H,3-4,6-9H2,1H3,(H,30,33)(H,32,35)
InChIKeyBAMYPYDSMUNJEZ-UHFFFAOYSA-N
XLogP24.28
TPSA517.08 Ų
H-Bond Donors15
H-Bond Acceptors32
Rotatable Bonds38
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002545.75
LogP ≤ 524.28
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1032

Analyze N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yl)-4-pyridinyl]phenyl]pyridine-4-carboxamide
CID 86297889
US10167279, Example 182
CID 134609593
US10167279, Example 177
CID 134609649
US10167279, Example 173
CID 135133631
US10167279, Example 175
CID 134609393
US10167279, Example 179
CID 134609653
2-(1,1-difluoroethyl)-N-[4-[(3R)-3-hydroxy-4-[[6-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-2-morpholin-4-ylpyrimidin-4-yl]amino]butyl]-3-[6-[[(2R)-2-hydroxypropyl]amino]-2-morpholin-4-ylpyrimidin-4-yl]phenyl]pyridine-4-carboxamide
CID 130425577
2-(1,1-difluoroethyl)-N-[3-[2-ethoxy-6-[2-[[methyl-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]pyridin-3-yl]-6-morpholin-4-ylpyrimidin-2-yl]amino]methyl]morpholin-4-yl]pyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 130425772
2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-[5-cyano-6-(3-hydroxy-3-methylazetidin-1-yl)-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(2-methoxyethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 157122802
N-[3-(8-ethyl-9-oxo-13-oxa-1,6,8-triazatricyclo[9.4.0.02,7]pentadeca-2(7),3,5-trien-4-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;bis(N-[3-(8-ethyl-9-oxo-12-oxa-1,6,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-4-yl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide);N-[3-[(10S)-8-ethyl-9-oxo-12-oxa-1,6,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[(10R)-8-ethyl-9-oxo-12-oxa-1,6,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-(9-oxo-12-oxa-1,6,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-4-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157285251
2-(1-cyanocyclopropyl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157416960
3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yl)-4-pyridinyl]phenyl]benzamide;1-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-[3-(trifluoromethyl)phenyl]ethanone;N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)benzamide;1-[4-methyl-3-(4-morpholin-4-yl-2-pyridinyl)phenyl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 157448671

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 157288435) is N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(C2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(C)(C)C#N)c2)cc1-c1cc(NCCO)nc(C2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(C2CCOCC2)nc(N(CCO)CCO)c1.Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(C2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(C2CCOCC2)c1.
What is the InChIKey of N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is BAMYPYDSMUNJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3.C28H31F3N4O4.C27H28F3N3O3.C26H27F3N4O3.C25H26F3N5O3/c1-19-4-5-23(33-28(36)21-6-9-31-26(15-21)29(2,3)18-30)17-24(19)22-14-25(20-7-12-37-13-8-20)34-27(16-22)32-10-11-35;1-18-2-3-22(33-27(38)20-4-7-32-25(15-20)28(29,30)31)17-23(18)21-14-24(19-5-12-39-13-6-19)34-26(16-21)35(8-10-36)9-11-37;1-17-5-6-22(32-26(35)19-3-2-4-21(13-19)27(28,29)30)16-23(17)20-14-24(18-7-11-36-12-8-18)33-25(15-20)31-9-10-34;1-16-22(19-12-23(17-5-9-36-10-6-17)33-24(13-19)30-7-8-34)14-21(15-31-16)32-25(35)18-3-2-4-20(11-18)26(27,28)29;1-15-20(18-10-21(16-3-8-36-9-4-16)33-23(12-18)30-6-7-34)13-19(14-31-15)32-24(35)17-2-5-29-22(11-17)25(26,27)28/h4-6,9,14-17,20,35H,7-8,10-13H2,1-3H3,(H,32,34)(H,33,36);2-4,7,14-17,19,36-37H,5-6,8-13H2,1H3,(H,33,38);2-6,13-16,18,34H,7-12H2,1H3,(H,31,33)(H,32,35);2-4,11-15,17,34H,5-10H2,1H3,(H,30,33)(H,32,35);2,5,10-14,16,34H,3-4,6-9H2,1H3,(H,30,33)(H,32,35).
What are the key properties of N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 2545.75 g/mol, XLogP of 24.28, 38 rotatable bonds, 15 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[bis(2-hydroxyethyl)amino]-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-(oxan-4-yl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 157288435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).