3-[2-[(1S)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[(1S)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid

C239H269F2N11O32 — CID 158598970

IUPAC3-[2-[(1S)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[(1S)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
SMILESCCCOc1ccc2c(c1)CCC[C@@H]2CCc1cnccc1C(=O)O.CCCOc1ccc2c(c1)CCC[C@H]2CCc1cnccc1C(=O)O.CCCOc1ccc2c(c1F)CCCC2CCc1cnccc1C(=O)O.CCOc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.COc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.COc1ccc2c(c1F)CCCC2CCc1cnccc1C(=O)O.Cc1ccc2c(c1C)CCCC2CCc1cnccc1C(=O)O.O=C(O)c1ccncc1CCC1CCCc2cc(OCCc3ccccc3)ccc21.O=C(O)c1ccncc1CCC1CCCc2cc(OCCc3ccccc3)ccc21.O=C(O)c1ccncc1CC[C@@H]1CCCc2cc(OCCC3CC3)ccc21.O=C(O)c1ccncc1CC[C@H]1CCCc2cc(OCCC3CC3)ccc21
InChIInChI=1S/2C26H27NO3.2C23H27NO3.C21H24FNO3.2C21H25NO3.C20H23NO3.C20H23NO2.C19H20FNO3.C19H21NO3/c2*28-26(29)25-13-15-27-18-22(25)10-9-20-7-4-8-21-17-23(11-12-24(20)21)30-16-14-19-5-2-1-3-6-19;2*25-23(26)22-10-12-24-15-19(22)7-6-17-2-1-3-18-14-20(8-9-21(17)18)27-13-11-16-4-5-16;1-2-12-26-19-9-8-16-14(4-3-5-18(16)20(19)22)6-7-15-13-23-11-10-17(15)21(24)25;2*1-2-12-25-18-8-9-19-15(4-3-5-16(19)13-18)6-7-17-14-22-11-10-20(17)21(23)24;1-2-24-17-8-9-18-14(4-3-5-15(18)12-17)6-7-16-13-21-11-10-19(16)20(22)23;1-13-6-9-18-15(4-3-5-17(18)14(13)2)7-8-16-12-21-11-10-19(16)20(22)23;1-24-17-8-7-14-12(3-2-4-16(14)18(17)20)5-6-13-11-21-10-9-15(13)19(22)23;1-23-16-7-8-17-13(3-2-4-14(17)11-16)5-6-15-12-20-10-9-18(15)19(21)22/h2*1-3,5-6,11-13,15,17-18,20H,4,7-10,14,16H2,(H,28,29);2*8-10,12,14-17H,1-7,11,13H2,(H,25,26);8-11,13-14H,2-7,12H2,1H3,(H,24,25);2*8-11,13-15H,2-7,12H2,1H3,(H,23,24);8-14H,2-7H2,1H3,(H,22,23);6,9-12,15H,3-5,7-8H2,1-2H3,(H,22,23);7-12H,2-6H2,1H3,(H,22,23);7-13H,2-6H2,1H3,(H,21,22)/t;;2*17-;;2*15-;;;;/m..10.10..../s1
InChIKeyHVJSLITUDVDIPI-VLBFPBLZSA-N
MW3845.82 g/mol
LogP51.44
Rot. Bonds73

About 3-[2-[(1S)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[(1S)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid

3-[2-[(1S)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[(1S)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid (PubChem CID 158598970) has the molecular formula C239H269F2N11O32 and a molecular weight of 3845.82 g/mol. Its IUPAC name is 3-[2-[(1S)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[(1S)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-[(1S)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[(1S)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
PubChem CID158598970
Molecular FormulaC239H269F2N11O32
Molecular Weight3845.82 g/mol
Exact Mass3842.97
IUPAC Name3-[2-[(1S)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[(1S)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
SMILESCCCOc1ccc2c(c1)CCC[C@@H]2CCc1cnccc1C(=O)O.CCCOc1ccc2c(c1)CCC[C@H]2CCc1cnccc1C(=O)O.CCCOc1ccc2c(c1F)CCCC2CCc1cnccc1C(=O)O.CCOc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.COc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.COc1ccc2c(c1F)CCCC2CCc1cnccc1C(=O)O.Cc1ccc2c(c1C)CCCC2CCc1cnccc1C(=O)O.O=C(O)c1ccncc1CCC1CCCc2cc(OCCc3ccccc3)ccc21.O=C(O)c1ccncc1CCC1CCCc2cc(OCCc3ccccc3)ccc21.O=C(O)c1ccncc1CC[C@@H]1CCCc2cc(OCCC3CC3)ccc21.O=C(O)c1ccncc1CC[C@H]1CCCc2cc(OCCC3CC3)ccc21
InChIInChI=1S/2C26H27NO3.2C23H27NO3.C21H24FNO3.2C21H25NO3.C20H23NO3.C20H23NO2.C19H20FNO3.C19H21NO3/c2*28-26(29)25-13-15-27-18-22(25)10-9-20-7-4-8-21-17-23(11-12-24(20)21)30-16-14-19-5-2-1-3-6-19;2*25-23(26)22-10-12-24-15-19(22)7-6-17-2-1-3-18-14-20(8-9-21(17)18)27-13-11-16-4-5-16;1-2-12-26-19-9-8-16-14(4-3-5-18(16)20(19)22)6-7-15-13-23-11-10-17(15)21(24)25;2*1-2-12-25-18-8-9-19-15(4-3-5-16(19)13-18)6-7-17-14-22-11-10-20(17)21(23)24;1-2-24-17-8-9-18-14(4-3-5-15(18)12-17)6-7-16-13-21-11-10-19(16)20(22)23;1-13-6-9-18-15(4-3-5-17(18)14(13)2)7-8-16-12-21-11-10-19(16)20(22)23;1-24-17-8-7-14-12(3-2-4-16(14)18(17)20)5-6-13-11-21-10-9-15(13)19(22)23;1-23-16-7-8-17-13(3-2-4-14(17)11-16)5-6-15-12-20-10-9-18(15)19(21)22/h2*1-3,5-6,11-13,15,17-18,20H,4,7-10,14,16H2,(H,28,29);2*8-10,12,14-17H,1-7,11,13H2,(H,25,26);8-11,13-14H,2-7,12H2,1H3,(H,24,25);2*8-11,13-15H,2-7,12H2,1H3,(H,23,24);8-14H,2-7H2,1H3,(H,22,23);6,9-12,15H,3-5,7-8H2,1-2H3,(H,22,23);7-12H,2-6H2,1H3,(H,22,23);7-13H,2-6H2,1H3,(H,21,22)/t;;2*17-;;2*15-;;;;/m..10.10..../s1
InChIKeyHVJSLITUDVDIPI-VLBFPBLZSA-N
XLogP51.44
TPSA644.39 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds73
Heavy Atoms284
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003845.82
LogP ≤ 551.44
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Analyze 3-[2-[(1S)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[(1S)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1S)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[(1S)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[2-[(1S)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[(1S)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid (CID 158598970) is 3-[2-[(1S)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[(1S)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[2-[(1S)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[(1S)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[2-[(1S)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[(1S)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid is CCCOc1ccc2c(c1)CCC[C@@H]2CCc1cnccc1C(=O)O.CCCOc1ccc2c(c1)CCC[C@H]2CCc1cnccc1C(=O)O.CCCOc1ccc2c(c1F)CCCC2CCc1cnccc1C(=O)O.CCOc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.COc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.COc1ccc2c(c1F)CCCC2CCc1cnccc1C(=O)O.Cc1ccc2c(c1C)CCCC2CCc1cnccc1C(=O)O.O=C(O)c1ccncc1CCC1CCCc2cc(OCCc3ccccc3)ccc21.O=C(O)c1ccncc1CCC1CCCc2cc(OCCc3ccccc3)ccc21.O=C(O)c1ccncc1CC[C@@H]1CCCc2cc(OCCC3CC3)ccc21.O=C(O)c1ccncc1CC[C@H]1CCCc2cc(OCCC3CC3)ccc21.
What is the InChIKey of 3-[2-[(1S)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[(1S)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?
The InChIKey is HVJSLITUDVDIPI-VLBFPBLZSA-N. The full InChI is InChI=1S/2C26H27NO3.2C23H27NO3.C21H24FNO3.2C21H25NO3.C20H23NO3.C20H23NO2.C19H20FNO3.C19H21NO3/c2*28-26(29)25-13-15-27-18-22(25)10-9-20-7-4-8-21-17-23(11-12-24(20)21)30-16-14-19-5-2-1-3-6-19;2*25-23(26)22-10-12-24-15-19(22)7-6-17-2-1-3-18-14-20(8-9-21(17)18)27-13-11-16-4-5-16;1-2-12-26-19-9-8-16-14(4-3-5-18(16)20(19)22)6-7-15-13-23-11-10-17(15)21(24)25;2*1-2-12-25-18-8-9-19-15(4-3-5-16(19)13-18)6-7-17-14-22-11-10-20(17)21(23)24;1-2-24-17-8-9-18-14(4-3-5-15(18)12-17)6-7-16-13-21-11-10-19(16)20(22)23;1-13-6-9-18-15(4-3-5-17(18)14(13)2)7-8-16-12-21-11-10-19(16)20(22)23;1-24-17-8-7-14-12(3-2-4-16(14)18(17)20)5-6-13-11-21-10-9-15(13)19(22)23;1-23-16-7-8-17-13(3-2-4-14(17)11-16)5-6-15-12-20-10-9-18(15)19(21)22/h2*1-3,5-6,11-13,15,17-18,20H,4,7-10,14,16H2,(H,28,29);2*8-10,12,14-17H,1-7,11,13H2,(H,25,26);8-11,13-14H,2-7,12H2,1H3,(H,24,25);2*8-11,13-15H,2-7,12H2,1H3,(H,23,24);8-14H,2-7H2,1H3,(H,22,23);6,9-12,15H,3-5,7-8H2,1-2H3,(H,22,23);7-12H,2-6H2,1H3,(H,22,23);7-13H,2-6H2,1H3,(H,21,22)/t;;2*17-;;2*15-;;;;/m..10.10..../s1.
What are the key properties of 3-[2-[(1S)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[(1S)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?
3-[2-[(1S)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[(1S)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid has a molecular weight of 3845.82 g/mol, XLogP of 51.44, 73 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1S)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-ethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-fluoro-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;bis(3-[2-[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid);3-[2-[(1S)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[(1R)-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 158598970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).