but-3-yn-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-propylphenyl)pyridine-2-carboxylate;1-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;[(E)-3-phenylprop-2-enyl] 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfanylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-[methoxy(methyl)carbamoyl]phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[(E)-2-phenylethenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethynyl)phenyl]pyridine-2-carboxylate

C283H296N16O37S — CID 167576690

IUPACbut-3-yn-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-propylphenyl)pyridine-2-carboxylate;1-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;[(E)-3-phenylprop-2-enyl] 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfanylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-[methoxy(methyl)carbamoyl]phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[(E)-2-phenylethenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethynyl)phenyl]pyridine-2-carboxylate
SMILESC#CC(C)OC(=O)c1cccc(-c2ccc(CCC)cc2)n1.CC(C)OC(=O)c1cccc(-c2ccc(C#Cc3ccccc3)cc2)n1.CC(C)OC(=O)c1cccc(-c2ccc(CCc3ccccc3)cc2)n1.CC(C)OC(=O)c1cccc(/C=C/c2ccccc2)n1.CCCCCCOc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.CCCCCCc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.CCCc1ccc(-c2cccc(C(=O)OCC)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OC(C)c3ccccc3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OC/C=C/c3ccccc3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCCc3ccccc3)n2)cc1.CCSc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.CON(C)C(=O)c1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.COc1cc(C(=O)OC(C)C)nc(-c2ccc(-c3cccnc3)cc2)c1.COc1cc(C(=O)OC(C)C)nc(-c2ccc(C(C)OC)cc2)c1
InChIInChI=1S/C23H21NO3.C23H23NO2.C23H19NO2.2C22H21NO3.C21H20N2O3.C21H27NO3.C21H27NO2.C19H23NO4.C19H19NO2.C18H20N2O4.C17H19NO2S.C17H17NO2.C17H19NO2/c1-2-26-20-15-13-19(14-16-20)21-11-6-12-22(24-21)23(25)27-17-7-10-18-8-4-3-5-9-18;2*1-17(2)26-23(25)22-10-6-9-21(24-22)20-15-13-19(14-16-20)12-11-18-7-4-3-5-8-18;1-3-25-19-14-12-18(13-15-19)20-10-7-11-21(23-20)22(24)26-16(2)17-8-5-4-6-9-17;1-2-25-19-13-11-18(12-14-19)20-9-6-10-21(23-20)22(24)26-16-15-17-7-4-3-5-8-17;1-14(2)26-21(24)20-12-18(25-3)11-19(23-20)16-8-6-15(7-9-16)17-5-4-10-22-13-17;1-4-5-6-7-15-24-18-13-11-17(12-14-18)19-9-8-10-20(22-19)21(23)25-16(2)3;1-4-5-6-7-9-17-12-14-18(15-13-17)19-10-8-11-20(22-19)21(23)24-16(2)3;1-12(2)24-19(21)18-11-16(23-5)10-17(20-18)15-8-6-14(7-9-15)13(3)22-4;1-4-7-15-10-12-16(13-11-15)17-8-6-9-18(20-17)19(21)22-14(3)5-2;1-12(2)24-18(22)16-7-5-6-15(19-16)13-8-10-14(11-9-13)17(21)20(3)23-4;1-4-21-14-10-8-13(9-11-14)15-6-5-7-16(18-15)17(19)20-12(2)3;1-13(2)20-17(19)16-10-6-9-15(18-16)12-11-14-7-4-3-5-8-14;1-3-6-13-9-11-14(12-10-13)15-7-5-8-16(18-15)17(19)20-4-2/h3-16H,2,17H2,1H3;3-10,13-17H,11-12H2,1-2H3;3-10,13-17H,1-2H3;4-16H,3H2,1-2H3;3-14H,2,15-16H2,1H3;4-14H,1-3H3;8-14,16H,4-7,15H2,1-3H3;8,10-16H,4-7,9H2,1-3H3;6-13H,1-5H3;2,6,8-14H,4,7H2,1,3H3;5-12H,1-4H3;5-12H,4H2,1-3H3;3-13H,1-2H3;5,7-12H,3-4,6H2,1-2H3/b10-7+;;;;;;;;;;;;12-11+;
InChIKeyGPZXROQBNKGZFL-DUGFEUNASA-N
MW4545.62 g/mol
LogP62.51
Rot. Bonds81

About but-3-yn-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-propylphenyl)pyridine-2-carboxylate;1-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;[(E)-3-phenylprop-2-enyl] 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfanylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-[methoxy(methyl)carbamoyl]phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[(E)-2-phenylethenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethynyl)phenyl]pyridine-2-carboxylate

but-3-yn-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-propylphenyl)pyridine-2-carboxylate;1-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;[(E)-3-phenylprop-2-enyl] 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfanylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-[methoxy(methyl)carbamoyl]phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[(E)-2-phenylethenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethynyl)phenyl]pyridine-2-carboxylate (PubChem CID 167576690) has the molecular formula C283H296N16O37S and a molecular weight of 4545.62 g/mol. Its IUPAC name is but-3-yn-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-propylphenyl)pyridine-2-carboxylate;1-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;[(E)-3-phenylprop-2-enyl] 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfanylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-[methoxy(methyl)carbamoyl]phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[(E)-2-phenylethenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethynyl)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namebut-3-yn-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-propylphenyl)pyridine-2-carboxylate;1-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;[(E)-3-phenylprop-2-enyl] 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfanylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-[methoxy(methyl)carbamoyl]phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[(E)-2-phenylethenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethynyl)phenyl]pyridine-2-carboxylate
PubChem CID167576690
Molecular FormulaC283H296N16O37S
Molecular Weight4545.62 g/mol
Exact Mass4542.15
IUPAC Namebut-3-yn-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-propylphenyl)pyridine-2-carboxylate;1-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;[(E)-3-phenylprop-2-enyl] 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfanylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-[methoxy(methyl)carbamoyl]phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[(E)-2-phenylethenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethynyl)phenyl]pyridine-2-carboxylate
SMILESC#CC(C)OC(=O)c1cccc(-c2ccc(CCC)cc2)n1.CC(C)OC(=O)c1cccc(-c2ccc(C#Cc3ccccc3)cc2)n1.CC(C)OC(=O)c1cccc(-c2ccc(CCc3ccccc3)cc2)n1.CC(C)OC(=O)c1cccc(/C=C/c2ccccc2)n1.CCCCCCOc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.CCCCCCc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.CCCc1ccc(-c2cccc(C(=O)OCC)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OC(C)c3ccccc3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OC/C=C/c3ccccc3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCCc3ccccc3)n2)cc1.CCSc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.CON(C)C(=O)c1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.COc1cc(C(=O)OC(C)C)nc(-c2ccc(-c3cccnc3)cc2)c1.COc1cc(C(=O)OC(C)C)nc(-c2ccc(C(C)OC)cc2)c1
InChIInChI=1S/C23H21NO3.C23H23NO2.C23H19NO2.2C22H21NO3.C21H20N2O3.C21H27NO3.C21H27NO2.C19H23NO4.C19H19NO2.C18H20N2O4.C17H19NO2S.C17H17NO2.C17H19NO2/c1-2-26-20-15-13-19(14-16-20)21-11-6-12-22(24-21)23(25)27-17-7-10-18-8-4-3-5-9-18;2*1-17(2)26-23(25)22-10-6-9-21(24-22)20-15-13-19(14-16-20)12-11-18-7-4-3-5-8-18;1-3-25-19-14-12-18(13-15-19)20-10-7-11-21(23-20)22(24)26-16(2)17-8-5-4-6-9-17;1-2-25-19-13-11-18(12-14-19)20-9-6-10-21(23-20)22(24)26-16-15-17-7-4-3-5-8-17;1-14(2)26-21(24)20-12-18(25-3)11-19(23-20)16-8-6-15(7-9-16)17-5-4-10-22-13-17;1-4-5-6-7-15-24-18-13-11-17(12-14-18)19-9-8-10-20(22-19)21(23)25-16(2)3;1-4-5-6-7-9-17-12-14-18(15-13-17)19-10-8-11-20(22-19)21(23)24-16(2)3;1-12(2)24-19(21)18-11-16(23-5)10-17(20-18)15-8-6-14(7-9-15)13(3)22-4;1-4-7-15-10-12-16(13-11-15)17-8-6-9-18(20-17)19(21)22-14(3)5-2;1-12(2)24-18(22)16-7-5-6-15(19-16)13-8-10-14(11-9-13)17(21)20(3)23-4;1-4-21-14-10-8-13(9-11-14)15-6-5-7-16(18-15)17(19)20-12(2)3;1-13(2)20-17(19)16-10-6-9-15(18-16)12-11-14-7-4-3-5-8-14;1-3-6-13-9-11-14(12-10-13)15-7-5-8-16(18-15)17(19)20-4-2/h3-16H,2,17H2,1H3;3-10,13-17H,11-12H2,1-2H3;3-10,13-17H,1-2H3;4-16H,3H2,1-2H3;3-14H,2,15-16H2,1H3;4-14H,1-3H3;8-14,16H,4-7,15H2,1-3H3;8,10-16H,4-7,9H2,1-3H3;6-13H,1-5H3;2,6,8-14H,4,7H2,1,3H3;5-12H,1-4H3;5-12H,4H2,1-3H3;3-13H,1-2H3;5,7-12H,3-4,6H2,1-2H3/b10-7+;;;;;;;;;;;;12-11+;
InChIKeyGPZXROQBNKGZFL-DUGFEUNASA-N
XLogP62.51
TPSA655.70 Ų
H-Bond Donors
H-Bond Acceptors53
Rotatable Bonds81
Heavy Atoms337
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004545.62
LogP ≤ 562.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1053

Analyze but-3-yn-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-propylphenyl)pyridine-2-carboxylate;1-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;[(E)-3-phenylprop-2-enyl] 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfanylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-[methoxy(methyl)carbamoyl]phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[(E)-2-phenylethenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethynyl)phenyl]pyridine-2-carboxylate with MolForge

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Related Compounds

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
Ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-phenylpyridine-2-carboxylate;methyl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylcarbamoyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 167657602
5-(4-Methylpentyl)-2-[4-[[4-(4-methylpentyl)cyclohexyl]methylsulfanyl]phenyl]pyridine;[6-(4-octoxyphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octoxyphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate;[6-(4-octylphenyl)-3-pyridinyl] cyclohexanecarboxylate;[6-(4-octylphenyl)-3-pyridinyl] 4-(4-methylpentyl)cyclohexane-1-carboxylate
CID 159361163
Cyclopenta-1,4-dien-1-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;methyl 4-methoxy-6-(4-propan-2-yloxyphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propan-2-yloxyphenyl)pyridine-2-carboxylate;1,3-thiazol-5-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate
CID 167540195
But-3-yn-2-yl 4-methoxy-6-(4-propylphenyl)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-ethylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-propylphenyl)pyridine-2-carboxylate
CID 167541030
Cyclopropyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-[4-(dimethylamino)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-ethoxyethoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-ethoxyphenyl)-4-methylpyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfonylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate
CID 167548045
Ethyl 6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;ethyl 6-[4-(2-methoxy-2-oxoethyl)phenyl]pyridine-2-carboxylate;ethyl 6-(4-naphthalen-1-ylphenyl)pyridine-2-carboxylate;ethyl 6-(4-octoxyphenyl)pyridine-2-carboxylate;ethyl 6-(4-pyridin-2-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate
CID 167550465
But-3-yn-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-propylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethyl)phenyl]pyridine-2-carboxylate
CID 167576163
Ethyl 6-[4-(acetyloxymethyl)phenyl]pyridine-2-carboxylate;methyl 6-(4-hexoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-butylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-methylsulfanylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(2-phenylethoxy)pyridine-2-carboxylate
CID 167591794
Propan-2-yl 6-(4-ethylsulfanylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(methoxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethynyl)phenyl]pyridine-2-carboxylate
CID 167629768
Ethyl 6-[4-(acetyloxymethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(4-butylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-methylpropoxy)phenyl]pyridine-2-carboxylate;propan-2-yl 6-(2-phenylethoxy)pyridine-2-carboxylate;propan-2-yl 6-(4-propan-2-yloxycarbonylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-propan-2-yloxyphenyl)pyridine-2-carboxylate;thiophen-2-ylmethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate
CID 167631401
CID 167635398
CID 167635398

Frequently Asked Questions

What is the IUPAC name of but-3-yn-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-propylphenyl)pyridine-2-carboxylate;1-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;[(E)-3-phenylprop-2-enyl] 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfanylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-[methoxy(methyl)carbamoyl]phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[(E)-2-phenylethenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethynyl)phenyl]pyridine-2-carboxylate?
The IUPAC name of but-3-yn-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-propylphenyl)pyridine-2-carboxylate;1-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;[(E)-3-phenylprop-2-enyl] 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfanylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-[methoxy(methyl)carbamoyl]phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[(E)-2-phenylethenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethynyl)phenyl]pyridine-2-carboxylate (CID 167576690) is but-3-yn-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-propylphenyl)pyridine-2-carboxylate;1-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;[(E)-3-phenylprop-2-enyl] 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfanylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-[methoxy(methyl)carbamoyl]phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[(E)-2-phenylethenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethynyl)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for but-3-yn-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-propylphenyl)pyridine-2-carboxylate;1-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;[(E)-3-phenylprop-2-enyl] 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfanylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-[methoxy(methyl)carbamoyl]phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[(E)-2-phenylethenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethynyl)phenyl]pyridine-2-carboxylate?
The canonical SMILES for but-3-yn-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-propylphenyl)pyridine-2-carboxylate;1-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;[(E)-3-phenylprop-2-enyl] 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfanylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-[methoxy(methyl)carbamoyl]phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[(E)-2-phenylethenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethynyl)phenyl]pyridine-2-carboxylate is C#CC(C)OC(=O)c1cccc(-c2ccc(CCC)cc2)n1.CC(C)OC(=O)c1cccc(-c2ccc(C#Cc3ccccc3)cc2)n1.CC(C)OC(=O)c1cccc(-c2ccc(CCc3ccccc3)cc2)n1.CC(C)OC(=O)c1cccc(/C=C/c2ccccc2)n1.CCCCCCOc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.CCCCCCc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.CCCc1ccc(-c2cccc(C(=O)OCC)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OC(C)c3ccccc3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OC/C=C/c3ccccc3)n2)cc1.CCOc1ccc(-c2cccc(C(=O)OCCc3ccccc3)n2)cc1.CCSc1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.CON(C)C(=O)c1ccc(-c2cccc(C(=O)OC(C)C)n2)cc1.COc1cc(C(=O)OC(C)C)nc(-c2ccc(-c3cccnc3)cc2)c1.COc1cc(C(=O)OC(C)C)nc(-c2ccc(C(C)OC)cc2)c1.
What is the InChIKey of but-3-yn-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-propylphenyl)pyridine-2-carboxylate;1-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;[(E)-3-phenylprop-2-enyl] 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfanylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-[methoxy(methyl)carbamoyl]phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[(E)-2-phenylethenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethynyl)phenyl]pyridine-2-carboxylate?
The InChIKey is GPZXROQBNKGZFL-DUGFEUNASA-N. The full InChI is InChI=1S/C23H21NO3.C23H23NO2.C23H19NO2.2C22H21NO3.C21H20N2O3.C21H27NO3.C21H27NO2.C19H23NO4.C19H19NO2.C18H20N2O4.C17H19NO2S.C17H17NO2.C17H19NO2/c1-2-26-20-15-13-19(14-16-20)21-11-6-12-22(24-21)23(25)27-17-7-10-18-8-4-3-5-9-18;2*1-17(2)26-23(25)22-10-6-9-21(24-22)20-15-13-19(14-16-20)12-11-18-7-4-3-5-8-18;1-3-25-19-14-12-18(13-15-19)20-10-7-11-21(23-20)22(24)26-16(2)17-8-5-4-6-9-17;1-2-25-19-13-11-18(12-14-19)20-9-6-10-21(23-20)22(24)26-16-15-17-7-4-3-5-8-17;1-14(2)26-21(24)20-12-18(25-3)11-19(23-20)16-8-6-15(7-9-16)17-5-4-10-22-13-17;1-4-5-6-7-15-24-18-13-11-17(12-14-18)19-9-8-10-20(22-19)21(23)25-16(2)3;1-4-5-6-7-9-17-12-14-18(15-13-17)19-10-8-11-20(22-19)21(23)24-16(2)3;1-12(2)24-19(21)18-11-16(23-5)10-17(20-18)15-8-6-14(7-9-15)13(3)22-4;1-4-7-15-10-12-16(13-11-15)17-8-6-9-18(20-17)19(21)22-14(3)5-2;1-12(2)24-18(22)16-7-5-6-15(19-16)13-8-10-14(11-9-13)17(21)20(3)23-4;1-4-21-14-10-8-13(9-11-14)15-6-5-7-16(18-15)17(19)20-12(2)3;1-13(2)20-17(19)16-10-6-9-15(18-16)12-11-14-7-4-3-5-8-14;1-3-6-13-9-11-14(12-10-13)15-7-5-8-16(18-15)17(19)20-4-2/h3-16H,2,17H2,1H3;3-10,13-17H,11-12H2,1-2H3;3-10,13-17H,1-2H3;4-16H,3H2,1-2H3;3-14H,2,15-16H2,1H3;4-14H,1-3H3;8-14,16H,4-7,15H2,1-3H3;8,10-16H,4-7,9H2,1-3H3;6-13H,1-5H3;2,6,8-14H,4,7H2,1,3H3;5-12H,1-4H3;5-12H,4H2,1-3H3;3-13H,1-2H3;5,7-12H,3-4,6H2,1-2H3/b10-7+;;;;;;;;;;;;12-11+;.
What are the key properties of but-3-yn-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-propylphenyl)pyridine-2-carboxylate;1-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;[(E)-3-phenylprop-2-enyl] 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfanylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-[methoxy(methyl)carbamoyl]phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[(E)-2-phenylethenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethynyl)phenyl]pyridine-2-carboxylate?
but-3-yn-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-propylphenyl)pyridine-2-carboxylate;1-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;[(E)-3-phenylprop-2-enyl] 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfanylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-[methoxy(methyl)carbamoyl]phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[(E)-2-phenylethenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethynyl)phenyl]pyridine-2-carboxylate has a molecular weight of 4545.62 g/mol, XLogP of 62.51, 81 rotatable bonds, 0 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-yn-2-yl 6-(4-propylphenyl)pyridine-2-carboxylate;ethyl 6-(4-propylphenyl)pyridine-2-carboxylate;1-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;2-phenylethyl 6-(4-ethoxyphenyl)pyridine-2-carboxylate;[(E)-3-phenylprop-2-enyl] 6-(4-ethoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-ethylsulfanylphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexoxyphenyl)pyridine-2-carboxylate;propan-2-yl 6-(4-hexylphenyl)pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-[4-(1-methoxyethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-[methoxy(methyl)carbamoyl]phenyl]pyridine-2-carboxylate;propan-2-yl 4-methoxy-6-(4-pyridin-3-ylphenyl)pyridine-2-carboxylate;propan-2-yl 6-[(E)-2-phenylethenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethyl)phenyl]pyridine-2-carboxylate;propan-2-yl 6-[4-(2-phenylethynyl)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 167576690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).