but-3-yn-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-4-ylphenyl)pyridine-2-carboxylate;pent-4-yn-2-yl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-butan-2-ylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-butylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-tert-butylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propoxyphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;prop-2-ynyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate

C243H262F3N15O37 — CID 167653048

IUPACbut-3-yn-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-4-ylphenyl)pyridine-2-carboxylate;pent-4-yn-2-yl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-butan-2-ylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-butylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-tert-butylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propoxyphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;prop-2-ynyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate
SMILESC#CC(C)OC(=O)c1cc(OC)cc(-c2ccc(CCC)cc2)n1.C#CCC(C)OC(=O)c1cccc(-c2ccc(OCC)cc2)n1.C#CCOC(=O)c1cccc(-c2ccc(OCC)cc2)n1.CC(C)OC(=O)c1cccc(-c2ccc(C(C)(C)C)cc2)n1.CCC(C)c1ccc(-c2cc(OC)cc(C(=O)OC(C)C)n2)cc1.CCCCc1ccc(-c2cc(OC)cc(C(=O)OC(C)C)n2)cc1.CCCOc1ccc(-c2cc(OC)cc(C(=O)OC(C)C)n2)cc1.CCCc1ccc(-c2cc(OC)cc(C(=O)OC(C)C)n2)cc1.CCOC(=O)c1cccc(-c2ccc(-c3cccnc3)cc2)n1.CCOC(=O)c1cccc(-c2ccc(-c3ccncc3)cc2)n1.CCc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.COCc1ccc(-c2cc(OC)cc(C(=O)OC(C)C)n2)cc1.COc1cc(C(=O)OC(C)C)nc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/2C20H25NO3.C20H21NO3.2C19H16N2O2.C19H23NO4.C19H23NO3.C19H19NO3.C19H23NO2.C18H21NO4.C17H16F3NO3.C17H15NO3.C17H19NO2/c1-6-14(4)15-7-9-16(10-8-15)18-11-17(23-5)12-19(21-18)20(22)24-13(2)3;1-5-6-7-15-8-10-16(11-9-15)18-12-17(23-4)13-19(21-18)20(22)24-14(2)3;1-5-7-15-8-10-16(11-9-15)18-12-17(23-4)13-19(21-18)20(22)24-14(3)6-2;1-2-23-19(22)18-7-3-6-17(21-18)15-10-8-14(9-11-15)16-5-4-12-20-13-16;1-2-23-19(22)18-5-3-4-17(21-18)16-8-6-14(7-9-16)15-10-12-20-13-11-15;1-5-10-23-15-8-6-14(7-9-15)17-11-16(22-4)12-18(20-17)19(21)24-13(2)3;1-5-6-14-7-9-15(10-8-14)17-11-16(22-4)12-18(20-17)19(21)23-13(2)3;1-4-7-14(3)23-19(21)18-9-6-8-17(20-18)15-10-12-16(13-11-15)22-5-2;1-13(2)22-18(21)17-8-6-7-16(20-17)14-9-11-15(12-10-14)19(3,4)5;1-12(2)23-18(20)17-10-15(22-4)9-16(19-17)14-7-5-13(6-8-14)11-21-3;1-10(2)24-16(22)15-9-13(23-3)8-14(21-15)11-4-6-12(7-5-11)17(18,19)20;1-3-12-21-17(19)16-7-5-6-15(18-16)13-8-10-14(11-9-13)20-4-2;1-4-13-8-10-14(11-9-13)15-6-5-7-16(18-15)17(19)20-12(2)3/h7-14H,6H2,1-5H3;8-14H,5-7H2,1-4H3;2,8-14H,5,7H2,1,3-4H3;2*3-13H,2H2,1H3;6-9,11-13H,5,10H2,1-4H3;7-13H,5-6H2,1-4H3;1,6,8-14H,5,7H2,2-3H3;6-13H,1-5H3;5-10,12H,11H2,1-4H3;4-10H,1-3H3;1,5-11H,4,12H2,2H3;5-12H,4H2,1-3H3
InChIKeyQVWVXJVZMNBBLE-UHFFFAOYSA-N
MW4041.83 g/mol
LogP52.70
Rot. Bonds68

About but-3-yn-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-4-ylphenyl)pyridine-2-carboxylate;pent-4-yn-2-yl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-butan-2-ylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-butylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-tert-butylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propoxyphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;prop-2-ynyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate

but-3-yn-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-4-ylphenyl)pyridine-2-carboxylate;pent-4-yn-2-yl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-butan-2-ylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-butylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-tert-butylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propoxyphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;prop-2-ynyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate (PubChem CID 167653048) has the molecular formula C243H262F3N15O37 and a molecular weight of 4041.83 g/mol. Its IUPAC name is but-3-yn-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-4-ylphenyl)pyridine-2-carboxylate;pent-4-yn-2-yl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-butan-2-ylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-butylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-tert-butylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propoxyphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;prop-2-ynyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namebut-3-yn-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-4-ylphenyl)pyridine-2-carboxylate;pent-4-yn-2-yl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-butan-2-ylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-butylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-tert-butylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propoxyphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;prop-2-ynyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate
PubChem CID167653048
Molecular FormulaC243H262F3N15O37
Molecular Weight4041.83 g/mol
Exact Mass4038.90
IUPAC Namebut-3-yn-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-4-ylphenyl)pyridine-2-carboxylate;pent-4-yn-2-yl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-butan-2-ylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-butylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-tert-butylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propoxyphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;prop-2-ynyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate
SMILESC#CC(C)OC(=O)c1cc(OC)cc(-c2ccc(CCC)cc2)n1.C#CCC(C)OC(=O)c1cccc(-c2ccc(OCC)cc2)n1.C#CCOC(=O)c1cccc(-c2ccc(OCC)cc2)n1.CC(C)OC(=O)c1cccc(-c2ccc(C(C)(C)C)cc2)n1.CCC(C)c1ccc(-c2cc(OC)cc(C(=O)OC(C)C)n2)cc1.CCCCc1ccc(-c2cc(OC)cc(C(=O)OC(C)C)n2)cc1.CCCOc1ccc(-c2cc(OC)cc(C(=O)OC(C)C)n2)cc1.CCCc1ccc(-c2cc(OC)cc(C(=O)OC(C)C)n2)cc1.CCOC(=O)c1cccc(-c2ccc(-c3cccnc3)cc2)n1.CCOC(=O)c1cccc(-c2ccc(-c3ccncc3)cc2)n1.CCc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.COCc1ccc(-c2cc(OC)cc(C(=O)OC(C)C)n2)cc1.COc1cc(C(=O)OC(C)C)nc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/2C20H25NO3.C20H21NO3.2C19H16N2O2.C19H23NO4.C19H23NO3.C19H19NO3.C19H23NO2.C18H21NO4.C17H16F3NO3.C17H15NO3.C17H19NO2/c1-6-14(4)15-7-9-16(10-8-15)18-11-17(23-5)12-19(21-18)20(22)24-13(2)3;1-5-6-7-15-8-10-16(11-9-15)18-12-17(23-4)13-19(21-18)20(22)24-14(2)3;1-5-7-15-8-10-16(11-9-15)18-12-17(23-4)13-19(21-18)20(22)24-14(3)6-2;1-2-23-19(22)18-7-3-6-17(21-18)15-10-8-14(9-11-15)16-5-4-12-20-13-16;1-2-23-19(22)18-5-3-4-17(21-18)16-8-6-14(7-9-16)15-10-12-20-13-11-15;1-5-10-23-15-8-6-14(7-9-15)17-11-16(22-4)12-18(20-17)19(21)24-13(2)3;1-5-6-14-7-9-15(10-8-14)17-11-16(22-4)12-18(20-17)19(21)23-13(2)3;1-4-7-14(3)23-19(21)18-9-6-8-17(20-18)15-10-12-16(13-11-15)22-5-2;1-13(2)22-18(21)17-8-6-7-16(20-17)14-9-11-15(12-10-14)19(3,4)5;1-12(2)23-18(20)17-10-15(22-4)9-16(19-17)14-7-5-13(6-8-14)11-21-3;1-10(2)24-16(22)15-9-13(23-3)8-14(21-15)11-4-6-12(7-5-11)17(18,19)20;1-3-12-21-17(19)16-7-5-6-15(18-16)13-8-10-14(11-9-13)20-4-2;1-4-13-8-10-14(11-9-13)15-6-5-7-16(18-15)17(19)20-12(2)3/h7-14H,6H2,1-5H3;8-14H,5-7H2,1-4H3;2,8-14H,5,7H2,1,3-4H3;2*3-13H,2H2,1H3;6-9,11-13H,5,10H2,1-4H3;7-13H,5-6H2,1-4H3;1,6,8-14H,5,7H2,2-3H3;6-13H,1-5H3;5-10,12H,11H2,1-4H3;4-10H,1-3H3;1,5-11H,4,12H2,2H3;5-12H,4H2,1-3H3
InChIKeyQVWVXJVZMNBBLE-UHFFFAOYSA-N
XLogP52.70
TPSA636.78 Ų
H-Bond Donors
H-Bond Acceptors52
Rotatable Bonds68
Heavy Atoms298
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004041.83
LogP ≤ 552.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1052

Analyze but-3-yn-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-4-ylphenyl)pyridine-2-carboxylate;pent-4-yn-2-yl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-butan-2-ylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-butylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-tert-butylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propoxyphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;prop-2-ynyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(Z)-N,N-dimethyl-4-methylimino-1,5-diphenylpent-2-en-2-amine;(Z)-N,N-dimethyl-4-methyliminopent-2-en-2-amine;(Z)-N,N-dimethyl-4-methylimino-5-phenylpent-2-en-2-amine;(Z)-1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine;(Z)-N,N,2,2,6,6-hexamethyl-5-methyliminohept-3-en-3-amine;methyl 4-(dimethylamino)pyridine-2-carboxylate;methyl 3-fluoropyridine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 4-methoxypyridine-2-carboxylate;methyl 4-methylpyridine-2-carboxylate;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;methyl 3-(trifluoromethyl)pyridine-2-carboxylate;methyl 5-(trifluoromethyl)pyridine-2-carboxylate;(Z)-N,N,5,5-tetramethyl-4-methyliminohex-2-en-2-amine;(Z)-5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 157701627
(Z)-N,N-dimethyl-4-methylimino-1,5-diphenylpent-2-en-2-amine;(Z)-N,N-dimethyl-4-methylimino-5-phenylpent-2-en-2-amine;(Z)-1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine;methyl 4-(dimethylamino)pyridine-2-carboxylate;methyl 3-fluoropyridine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 4-methoxypyridine-2-carboxylate;methyl 4-methylpyridine-2-carboxylate;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;methyl 3-(trifluoromethyl)pyridine-2-carboxylate;methyl 5-(trifluoromethyl)pyridine-2-carboxylate;(Z)-5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 158073996
2-Cyclopropyl-5-propan-2-ylpyridine;2,4-dimethyl-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-ylpyridine;bis(2-ethyl-4-propan-2-ylpyridine);bis(2-ethyl-5-propan-2-ylpyridine);2-ethynyl-3-methyl-5-propan-2-ylpyridine;2-ethynyl-5-propan-2-ylpyridine;2-(1-fluoroethoxy)-5-propan-2-ylpyridine;5-fluoro-2-methyl-4-propan-2-ylpyridine;2-methoxy-6-methyl-4-propan-2-ylpyridine;1-methyl-2-methylidene-4-propan-2-ylpyridine;bis(2-methyl-5-propan-2-ylpyridine);bis(3-methyl-5-propan-2-ylpyridine);methyl 4-propan-2-ylpyridine-2-carboxylate;2-methyl-4-propan-2-yl-6-(trifluoromethyl)pyridine;1-(4-propan-2-yl-2-pyridinyl)ethanone
CID 159338405
3,3-Difluoro-7-(3-methylphenoxy)heptan-2-one;2,2-difluoro-1-(3-methylphenyl)-6-phenoxyhexan-1-one;2,2-difluoro-1-(6-methyl-2-pyridinyl)-2-(4-phenylphenyl)ethanone;3,3-difluoro-7-phenoxyheptan-2-one;3,3-difluoro-8-phenoxyoctan-2-one;2,2-difluoro-6-phenoxy-1-pyridin-2-ylhexane-1,1-diol;2,2-difluoro-1-(4-phenylphenyl)-2-pyridin-2-ylethanone;2,2-difluoro-2-phenyl-1-(4-pyridin-2-ylphenyl)ethanone;methane
CID 159602554
5-[[4-(1,1-difluoroethoxy)phenyl]methoxymethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[[4-(1,1-difluoroethoxy)phenyl]methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[2-[3-(1,1-difluoroethyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[2-[4-(1,1-difluoroethyl)phenoxy]ethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[[3-(1,1-difluoroethyl)phenyl]methoxymethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[[4-(1,1-difluoroethyl)phenyl]methoxymethyl]-N-(2-methylpropyl)pyridine-2-carboxamide;5-[[3-(1,1-difluoroethyl)phenyl]methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;5-[[4-(1,1-difluoroethyl)phenyl]methoxymethyl]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;N-(2,2-dimethylpropyl)-5-[2-(4-methylphenoxy)ethyl]pyridine-2-carboxamide
CID 159646765
(Z)-N,N-dimethyl-4-methylimino-1,5-diphenylpent-2-en-2-amine;methyl 4-(dimethylamino)pyridine-2-carboxylate;methyl 3-fluoropyridine-2-carboxylate;methyl 5-fluoropyridine-2-carboxylate;methyl 4-methoxypyridine-2-carboxylate;methyl 4-methylpyridine-2-carboxylate;methyl 4-propan-2-ylpyridine-2-carboxylate;methyl pyridine-2-carboxylate;methyl 3-(trifluoromethyl)pyridine-2-carboxylate;methyl 5-(trifluoromethyl)pyridine-2-carboxylate
CID 160001894
2-(2-Acetyloxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;butyl 4-tert-butyl-3-methylbenzoate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-2-carboxylate;2-(4-tert-butyl-3-methylbenzoyl)oxyethyl pyridine-3-carboxylate;2-(4,4-difluoropiperidin-1-yl)ethyl 4-tert-butyl-3-methylbenzoate;2-(2-hydroxyethoxy)ethyl 4-tert-butyl-3-methylbenzoate;2-[2-methoxyethyl(methyl)amino]ethyl 4-tert-butyl-3-methylbenzoate;2-(2-morpholin-4-ylethoxy)ethyl 4-tert-butyl-3-methylbenzoate;5-morpholin-4-ylpentyl 4-tert-butyl-3-methylbenzoate;pentyl 4-tert-butyl-3-methylbenzoate;pyridin-2-yl 4-tert-butyl-3-methylbenzoate
CID 160745134
CID 160842741
CID 160842741
2-[5-(1,1-Difluoroethyl)-2-pyridinyl]-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(4,5-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone
CID 161141188
2-Methoxy-5-(3-methylphenyl)pyridine;2-methyl-5-(3-methylphenyl)pyridine;methyl 5-(3-methylphenyl)pyridine-2-carboxylate;5-(3-methylphenyl)pyridine-2-carboxylic acid;5-(3-methylphenyl)-2-(trifluoromethyl)pyridine;2-methylpyridine;3-methylpyridine
CID 161506724
2-[5-(1,1-Difluoroethyl)-2-pyridinyl]-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(5-ethynyl-2-pyridinyl)-1-(6-methyl-4-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone)
CID 161800407
[(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;(3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;[(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexyl] formate;1-(4-propan-2-ylphenyl)cyclopropane-1-carboxylic acid;[(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexyl] formate;[(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexyl] formate;trans-(1S,3S)-3-(2-fluoro-4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(2-methyl-6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-propan-2-yloxycyclohexane-1-carboxylic acid;trans-(1S,3S)-3-(4-propan-2-ylphenoxy)cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[(6-propan-2-yl-3-pyridinyl)oxy]cyclohexane-1-carboxylic acid;trans-(1S,3S)-3-[[6-propan-2-yl-2-(trifluoromethyl)-3-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 163978044

Frequently Asked Questions

What is the IUPAC name of but-3-yn-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-4-ylphenyl)pyridine-2-carboxylate;pent-4-yn-2-yl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-butan-2-ylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-butylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-tert-butylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propoxyphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;prop-2-ynyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate?
The IUPAC name of but-3-yn-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-4-ylphenyl)pyridine-2-carboxylate;pent-4-yn-2-yl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-butan-2-ylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-butylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-tert-butylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propoxyphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;prop-2-ynyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate (CID 167653048) is but-3-yn-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-4-ylphenyl)pyridine-2-carboxylate;pent-4-yn-2-yl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-butan-2-ylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-butylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-tert-butylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propoxyphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;prop-2-ynyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate.
What is the SMILES notation for but-3-yn-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-4-ylphenyl)pyridine-2-carboxylate;pent-4-yn-2-yl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-butan-2-ylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-butylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-tert-butylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propoxyphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;prop-2-ynyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate?
The canonical SMILES for but-3-yn-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-4-ylphenyl)pyridine-2-carboxylate;pent-4-yn-2-yl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-butan-2-ylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-butylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-tert-butylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propoxyphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;prop-2-ynyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate is C#CC(C)OC(=O)c1cc(OC)cc(-c2ccc(CCC)cc2)n1.C#CCC(C)OC(=O)c1cccc(-c2ccc(OCC)cc2)n1.C#CCOC(=O)c1cccc(-c2ccc(OCC)cc2)n1.CC(C)OC(=O)c1cccc(-c2ccc(C(C)(C)C)cc2)n1.CCC(C)c1ccc(-c2cc(OC)cc(C(=O)OC(C)C)n2)cc1.CCCCc1ccc(-c2cc(OC)cc(C(=O)OC(C)C)n2)cc1.CCCOc1ccc(-c2cc(OC)cc(C(=O)OC(C)C)n2)cc1.CCCc1ccc(-c2cc(OC)cc(C(=O)OC(C)C)n2)cc1.CCOC(=O)c1cccc(-c2ccc(-c3cccnc3)cc2)n1.CCOC(=O)c1cccc(-c2ccc(-c3ccncc3)cc2)n1.CCc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.COCc1ccc(-c2cc(OC)cc(C(=O)OC(C)C)n2)cc1.COc1cc(C(=O)OC(C)C)nc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of but-3-yn-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-4-ylphenyl)pyridine-2-carboxylate;pent-4-yn-2-yl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-butan-2-ylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-butylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-tert-butylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propoxyphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;prop-2-ynyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate?
The InChIKey is QVWVXJVZMNBBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H25NO3.C20H21NO3.2C19H16N2O2.C19H23NO4.C19H23NO3.C19H19NO3.C19H23NO2.C18H21NO4.C17H16F3NO3.C17H15NO3.C17H19NO2/c1-6-14(4)15-7-9-16(10-8-15)18-11-17(23-5)12-19(21-18)20(22)24-13(2)3;1-5-6-7-15-8-10-16(11-9-15)18-12-17(23-4)13-19(21-18)20(22)24-14(2)3;1-5-7-15-8-10-16(11-9-15)18-12-17(23-4)13-19(21-18)20(22)24-14(3)6-2;1-2-23-19(22)18-7-3-6-17(21-18)15-10-8-14(9-11-15)16-5-4-12-20-13-16;1-2-23-19(22)18-5-3-4-17(21-18)16-8-6-14(7-9-16)15-10-12-20-13-11-15;1-5-10-23-15-8-6-14(7-9-15)17-11-16(22-4)12-18(20-17)19(21)24-13(2)3;1-5-6-14-7-9-15(10-8-14)17-11-16(22-4)12-18(20-17)19(21)23-13(2)3;1-4-7-14(3)23-19(21)18-9-6-8-17(20-18)15-10-12-16(13-11-15)22-5-2;1-13(2)22-18(21)17-8-6-7-16(20-17)14-9-11-15(12-10-14)19(3,4)5;1-12(2)23-18(20)17-10-15(22-4)9-16(19-17)14-7-5-13(6-8-14)11-21-3;1-10(2)24-16(22)15-9-13(23-3)8-14(21-15)11-4-6-12(7-5-11)17(18,19)20;1-3-12-21-17(19)16-7-5-6-15(18-16)13-8-10-14(11-9-13)20-4-2;1-4-13-8-10-14(11-9-13)15-6-5-7-16(18-15)17(19)20-12(2)3/h7-14H,6H2,1-5H3;8-14H,5-7H2,1-4H3;2,8-14H,5,7H2,1,3-4H3;2*3-13H,2H2,1H3;6-9,11-13H,5,10H2,1-4H3;7-13H,5-6H2,1-4H3;1,6,8-14H,5,7H2,2-3H3;6-13H,1-5H3;5-10,12H,11H2,1-4H3;4-10H,1-3H3;1,5-11H,4,12H2,2H3;5-12H,4H2,1-3H3.
What are the key properties of but-3-yn-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-4-ylphenyl)pyridine-2-carboxylate;pent-4-yn-2-yl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-butan-2-ylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-butylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-tert-butylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propoxyphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;prop-2-ynyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate?
but-3-yn-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-4-ylphenyl)pyridine-2-carboxylate;pent-4-yn-2-yl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-butan-2-ylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-butylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-tert-butylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propoxyphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;prop-2-ynyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate has a molecular weight of 4041.83 g/mol, XLogP of 52.70, 68 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-yn-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-4-ylphenyl)pyridine-2-carboxylate;pent-4-yn-2-yl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-butan-2-ylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-butylphenyl)-4-methoxypyridine-2-carboxylate;propan-2-yl 6-(4-tert-butylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propoxyphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate;prop-2-ynyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate is sourced from PubChem (CID 167653048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).