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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-methyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-phenylethoxy)-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

C174H200N8O23 — CID 159396672

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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-methyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-phenylethoxy)-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(c1C)CCCC2CCc1cnccc1C(=O)O.CCOc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.COc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.Cc1ccc2c(c1C)CCCC2CCc1cnccc1C(=O)O.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/C26H27NO3.2C23H27NO3.C22H27NO3.C21H25NO3.C20H23NO3.C20H23NO2.C19H21NO3/c28-26(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;1-3-13-26-21-10-9-19-16(5-4-6-18(19)15(21)2)7-8-17-14-23-12-11-20(17)22(24)25;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;1-23-16-7-8-17-13(3-2-4-14(17)11-16)5-6-15-12-20-10-9-18(15)19(21)22/h1-3,5-6,11-13,15,17-18,20H,4,7-10,14,16H2,(H,28,29);2*8-10,12,14-17H,1-7,11,13H2,(H,25,26);9-12,14,16H,3-8,13H2,1-2H3,(H,24,25);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);7-13H,2-6H2,1H3,(H,21,22)/t;2*17-;;15-;;;/m.10.1.../s1
InChIKeyLMURIPGALKALKR-GALXIIEPSA-N
MW2771.55 g/mol
LogP37.55
Rot. Bonds53

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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-methyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-phenylethoxy)-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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-methyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-phenylethoxy)-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 159396672) has the molecular formula C174H200N8O23 and a molecular weight of 2771.55 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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-methyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-phenylethoxy)-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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-methyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-phenylethoxy)-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 CID159396672
Molecular FormulaC174H200N8O23
Molecular Weight2771.55 g/mol
Exact Mass2769.47
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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-methyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-phenylethoxy)-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(c1C)CCCC2CCc1cnccc1C(=O)O.CCOc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.COc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.Cc1ccc2c(c1C)CCCC2CCc1cnccc1C(=O)O.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/C26H27NO3.2C23H27NO3.C22H27NO3.C21H25NO3.C20H23NO3.C20H23NO2.C19H21NO3/c28-26(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;1-3-13-26-21-10-9-19-16(5-4-6-18(19)15(21)2)7-8-17-14-23-12-11-20(17)22(24)25;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;1-23-16-7-8-17-13(3-2-4-14(17)11-16)5-6-15-12-20-10-9-18(15)19(21)22/h1-3,5-6,11-13,15,17-18,20H,4,7-10,14,16H2,(H,28,29);2*8-10,12,14-17H,1-7,11,13H2,(H,25,26);9-12,14,16H,3-8,13H2,1-2H3,(H,24,25);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);7-13H,2-6H2,1H3,(H,21,22)/t;2*17-;;15-;;;/m.10.1.../s1
InChIKeyLMURIPGALKALKR-GALXIIEPSA-N
XLogP37.55
TPSA466.13 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds53
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002771.55
LogP ≤ 537.55
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-methyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-phenylethoxy)-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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Related Compounds

3-[2-(5-methyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid
CID 159396673
3-[2-[6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[5-(cyclopropylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(cyclopropylmethoxy)-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-methoxy-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;3-[2-(5-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridazine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid
CID 161423248
methyl 3-[2-[(1R)-6-(2-cyclopropylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylate
CID 162211482
3-[2-(5,6-dimethyl-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-[6-(2-fluorophenoxy)-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-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(3-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-(4-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-[6-[(6-methyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid;3-[2-(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridazine-4-carboxylic acid
CID 158592986
3-[2-[(1S)-6-(4-fluoro-2-methylphenoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 149190357
3-[2-(6-ethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(7-phenoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(6-phenylsulfanyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid
CID 158406274
ethane;3-[[6-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]methylamino]pyridine-4-carboxylic acid
CID 144656426
3-[(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 118597670
3-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 153125872
3-[2-[(1S)-2-methyl-6-(2-methyl-4-propoxyphenyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethyl]pyridine-4-carboxylic acid
CID 161055876
3-[2-[(4R)-7-(N-methyl-4-propoxyanilino)-3,4-dihydro-2H-chromen-4-yl]ethyl]pyridine-4-carboxylic acid
CID 148965854
3-[2-[(1S)-6-(N-ethylanilino)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
CID 146717869

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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-methyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-phenylethoxy)-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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-methyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-phenylethoxy)-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 159396672) 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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-methyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-phenylethoxy)-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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-methyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-phenylethoxy)-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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-methyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-phenylethoxy)-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(c1C)CCCC2CCc1cnccc1C(=O)O.CCOc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.COc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.Cc1ccc2c(c1C)CCCC2CCc1cnccc1C(=O)O.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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-methyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-phenylethoxy)-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 LMURIPGALKALKR-GALXIIEPSA-N. The full InChI is InChI=1S/C26H27NO3.2C23H27NO3.C22H27NO3.C21H25NO3.C20H23NO3.C20H23NO2.C19H21NO3/c28-26(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;1-3-13-26-21-10-9-19-16(5-4-6-18(19)15(21)2)7-8-17-14-23-12-11-20(17)22(24)25;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;1-23-16-7-8-17-13(3-2-4-14(17)11-16)5-6-15-12-20-10-9-18(15)19(21)22/h1-3,5-6,11-13,15,17-18,20H,4,7-10,14,16H2,(H,28,29);2*8-10,12,14-17H,1-7,11,13H2,(H,25,26);9-12,14,16H,3-8,13H2,1-2H3,(H,24,25);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);7-13H,2-6H2,1H3,(H,21,22)/t;2*17-;;15-;;;/m.10.1.../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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-methyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-phenylethoxy)-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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-methyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-phenylethoxy)-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 2771.55 g/mol, XLogP of 37.55, 53 rotatable bonds, 8 hydrogen bond donors, and 23 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-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-(5-methyl-6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]pyridine-4-carboxylic acid;3-[2-[6-(2-phenylethoxy)-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 159396672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).