N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

C161H159F13N26O18 — CID 162144460

IUPACN-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCCOc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1C1(CF)CCOC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc1C1(C#N)CCOC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc1C1(CF)CCOC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)cnc2C)cc1C1(CF)CCOC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1C1(C#N)CCOC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2C)cc1C1(C#N)CCOC1
InChIInChI=1S/C29H29N5O3.C28H30FN5O3.C27H30F2N4O3.C26H25F4N3O3.C26H23F3N4O3.C25H22F3N5O3/c1-5-37-27-24(29(17-31)9-11-36-18-29)12-21(15-33-27)23-14-22(7-6-19(23)2)34-26(35)20-8-10-32-25(13-20)28(3,4)16-30;1-5-37-26-23(28(15-29)7-9-36-17-28)10-20(13-33-26)22-12-21(14-32-18(22)2)34-25(35)19-6-8-31-24(11-19)27(3,4)16-30;1-5-36-25-22(27(15-28)7-9-35-16-27)10-19(13-32-25)21-12-20(14-31-17(21)2)33-24(34)18-6-8-30-23(11-18)26(3,4)29;1-3-36-24-22(25(14-27)7-8-35-15-25)10-18(12-32-24)21-11-20(13-31-16(21)2)33-23(34)17-5-4-6-19(9-17)26(28,29)30;1-3-36-24-21(25(14-30)7-9-35-15-25)10-18(13-32-24)20-12-19(5-4-16(20)2)33-23(34)17-6-8-31-22(11-17)26(27,28)29;1-3-36-23-20(24(13-29)5-7-35-14-24)8-17(11-32-23)19-10-18(12-31-15(19)2)33-22(34)16-4-6-30-21(9-16)25(26,27)28/h6-8,10,12-15H,5,9,11,18H2,1-4H3,(H,34,35);6,8,10-14H,5,7,9,15,17H2,1-4H3,(H,34,35);6,8,10-14H,5,7,9,15-16H2,1-4H3,(H,33,34);4-6,9-13H,3,7-8,14-15H2,1-2H3,(H,33,34);4-6,8,10-13H,3,7,9,15H2,1-2H3,(H,33,34);4,6,8-12H,3,5,7,14H2,1-2H3,(H,33,34)
InChIKeyZKJDUOJYICQQCZ-UHFFFAOYSA-N
MW2993.18 g/mol
LogP31.09
Rot. Bonds42

About N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 162144460) has the molecular formula C161H159F13N26O18 and a molecular weight of 2993.18 g/mol. Its IUPAC name is N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID162144460
Molecular FormulaC161H159F13N26O18
Molecular Weight2993.18 g/mol
Exact Mass2991.21
IUPAC NameN-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCCOc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1C1(CF)CCOC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc1C1(C#N)CCOC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc1C1(CF)CCOC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)cnc2C)cc1C1(CF)CCOC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1C1(C#N)CCOC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2C)cc1C1(C#N)CCOC1
InChIInChI=1S/C29H29N5O3.C28H30FN5O3.C27H30F2N4O3.C26H25F4N3O3.C26H23F3N4O3.C25H22F3N5O3/c1-5-37-27-24(29(17-31)9-11-36-18-29)12-21(15-33-27)23-14-22(7-6-19(23)2)34-26(35)20-8-10-32-25(13-20)28(3,4)16-30;1-5-37-26-23(28(15-29)7-9-36-17-28)10-20(13-33-26)22-12-21(14-32-18(22)2)34-25(35)19-6-8-31-24(11-19)27(3,4)16-30;1-5-36-25-22(27(15-28)7-9-35-16-27)10-19(13-32-25)21-12-20(14-31-17(21)2)33-24(34)18-6-8-30-23(11-18)26(3,4)29;1-3-36-24-22(25(14-27)7-8-35-15-25)10-18(12-32-24)21-11-20(13-31-16(21)2)33-23(34)17-5-4-6-19(9-17)26(28,29)30;1-3-36-24-21(25(14-30)7-9-35-15-25)10-18(13-32-24)20-12-19(5-4-16(20)2)33-23(34)17-6-8-31-22(11-17)26(27,28)29;1-3-36-23-20(24(13-29)5-7-35-14-24)8-17(11-32-23)19-10-18(12-31-15(19)2)33-22(34)16-4-6-30-21(9-16)25(26,27)28/h6-8,10,12-15H,5,9,11,18H2,1-4H3,(H,34,35);6,8,10-14H,5,7,9,15,17H2,1-4H3,(H,34,35);6,8,10-14H,5,7,9,15-16H2,1-4H3,(H,33,34);4-6,9-13H,3,7-8,14-15H2,1-2H3,(H,33,34);4-6,8,10-13H,3,7,9,15H2,1-2H3,(H,33,34);4,6,8-12H,3,5,7,14H2,1-2H3,(H,33,34)
InChIKeyZKJDUOJYICQQCZ-UHFFFAOYSA-N
XLogP31.09
TPSA597.66 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds42
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002993.18
LogP ≤ 531.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Analyze N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 134609472
2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-[3-(hydroxymethyl)oxolan-3-yl]-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609425
2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609474
2-(2-cyanopropan-2-yl)-N-[3-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[5-[6-(2-hydroxyethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[5-[1-(2-hydroxyethyl)-5-morpholin-4-yl-6-oxo-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(5-morpholin-4-yl-6-oxo-1H-pyridin-3-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 161133218
N-[5-[6-[[4-[2-[1-[4-[2-(2-cyanopropan-2-yl)-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]azetidin-3-yl]oxy-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-pyridinyl]morpholin-2-yl]methoxy]-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130425796
N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 134609346
2-cyclopropyl-N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-N-(2-fluoro-5-prop-1-en-2-ylphenyl)-4-methylbenzamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(oxetan-3-yl)pyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-propan-2-ylpyridine-4-carboxamide;N-[5-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 158095080
N-[5-(5-cyano-6-methyl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130417877
N-[3-[5-cyano-6-(propylamino)-3-pyridinyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 130405161
2-(2-cyanopropan-2-yl)-N-[5-[6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 155216263
N-[5-[2-[2-[(2-cyano-2-methylpropanoyl)amino]-4-pyridinyl]-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 168929322
6-(2-cyanopropan-2-yl)-N-[5-[6-(2,2-difluoroethoxy)-5-morpholin-4-yl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridazine-4-carboxamide;4-(2-cyanopropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide;1-[3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]-2-[5-fluoro-2-(trifluoromethyl)-4-pyridinyl]ethanone;2-(2-fluoropropan-2-yl)-N-[6-methyl-5-[5-morpholin-4-yl-6-(2-oxaspiro[3.3]heptan-6-yloxy)-3-pyridinyl]-3-pyridinyl]pyridine-4-carboxamide;4-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]pyridine-2-carboxamide;N-[6-methyl-5-(5-morpholin-4-yl-6-propan-2-yloxy-3-pyridinyl)-3-pyridinyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 160879514

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 162144460) is N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is CCOc1ncc(-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)cnc2C)cc1C1(CF)CCOC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)ccc2C)cc1C1(C#N)CCOC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)cc1C1(CF)CCOC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)F)c3)cnc2C)cc1C1(CF)CCOC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C)cc1C1(C#N)CCOC1.CCOc1ncc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)cnc2C)cc1C1(C#N)CCOC1.
What is the InChIKey of N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is ZKJDUOJYICQQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3.C28H30FN5O3.C27H30F2N4O3.C26H25F4N3O3.C26H23F3N4O3.C25H22F3N5O3/c1-5-37-27-24(29(17-31)9-11-36-18-29)12-21(15-33-27)23-14-22(7-6-19(23)2)34-26(35)20-8-10-32-25(13-20)28(3,4)16-30;1-5-37-26-23(28(15-29)7-9-36-17-28)10-20(13-33-26)22-12-21(14-32-18(22)2)34-25(35)19-6-8-31-24(11-19)27(3,4)16-30;1-5-36-25-22(27(15-28)7-9-35-16-27)10-19(13-32-25)21-12-20(14-31-17(21)2)33-24(34)18-6-8-30-23(11-18)26(3,4)29;1-3-36-24-22(25(14-27)7-8-35-15-25)10-18(12-32-24)21-11-20(13-31-16(21)2)33-23(34)17-5-4-6-19(9-17)26(28,29)30;1-3-36-24-21(25(14-30)7-9-35-15-25)10-18(13-32-24)20-12-19(5-4-16(20)2)33-23(34)17-6-8-31-22(11-17)26(27,28)29;1-3-36-23-20(24(13-29)5-7-35-14-24)8-17(11-32-23)19-10-18(12-31-15(19)2)33-22(34)16-4-6-30-21(9-16)25(26,27)28/h6-8,10,12-15H,5,9,11,18H2,1-4H3,(H,34,35);6,8,10-14H,5,7,9,15,17H2,1-4H3,(H,34,35);6,8,10-14H,5,7,9,15-16H2,1-4H3,(H,33,34);4-6,9-13H,3,7-8,14-15H2,1-2H3,(H,33,34);4-6,8,10-13H,3,7,9,15H2,1-2H3,(H,33,34);4,6,8-12H,3,5,7,14H2,1-2H3,(H,33,34).
What are the key properties of N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 2993.18 g/mol, XLogP of 31.09, 42 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[5-(3-cyanooxolan-3-yl)-6-ethoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-fluoropropan-2-yl)pyridine-4-carboxamide;N-[5-[6-ethoxy-5-[3-(fluoromethyl)oxolan-3-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 162144460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).