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

C93H94N4O11S — CID 158406274

About 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

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 (PubChem CID 158406274) has the molecular formula C93H94N4O11S and a molecular weight of 1475.86 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158406274
• Molecular Formula: C93H94N4O11S
• Molecular Weight: 1475.86 g/mol
• Exact Mass: 1474.66
• IUPAC Name: 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
• SMILES: CCOc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.O=C(O)c1ccncc1CCC1CCCc2cc(OCc3ccccc3)ccc21.O=C(O)c1ccncc1CCC1CCCc2cc(Sc3ccccc3)ccc21.O=C(O)c1ccncc1CCC1CCCc2ccc(Oc3ccccc3)cc21
• InChI: InChI=1S/C25H25NO3.C24H23NO3.C24H23NO2S.C20H23NO3/c27-25(28)24-13-14-26-16-21(24)10-9-19-7-4-8-20-15-22(11-12-23(19)20)29-17-18-5-2-1-3-6-18;26-24(27)22-13-14-25-16-19(22)10-9-17-5-4-6-18-11-12-21(15-23(17)18)28-20-7-2-1-3-8-20;26-24(27)23-13-14-25-16-19(23)10-9-17-5-4-6-18-15-21(11-12-22(17)18)28-20-7-2-1-3-8-20;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/h1-3,5-6,11-16,19H,4,7-10,17H2,(H,27,28);2*1-3,7-8,11-17H,4-6,9-10H2,(H,26,27);8-14H,2-7H2,1H3,(H,22,23)
• InChIKey: GYSUWDAMRBEADJ-UHFFFAOYSA-N
• XLogP: 21.25
• TPSA: 228.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 25
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1475.86
LogP ≤ 5	21.25
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCOc1ccc2c(c1)CCCC2CCc1cnccc1C(=O)O.O=C(O)c1ccncc1CCC1CCCc2cc(OCc3ccccc3)ccc21.O=C(O)c1ccncc1CCC1CCCc2cc(Sc3ccccc3)ccc21.O=C(O)c1ccncc1CCC1CCCc2ccc(Oc3ccccc3)cc21.

What is the InChIKey of 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?

The InChIKey is GYSUWDAMRBEADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3.C24H23NO3.C24H23NO2S.C20H23NO3/c27-25(28)24-13-14-26-16-21(24)10-9-19-7-4-8-20-15-22(11-12-23(19)20)29-17-18-5-2-1-3-6-18;26-24(27)22-13-14-25-16-19(22)10-9-17-5-4-6-18-11-12-21(15-23(17)18)28-20-7-2-1-3-8-20;26-24(27)23-13-14-25-16-19(23)10-9-17-5-4-6-18-15-21(11-12-22(17)18)28-20-7-2-1-3-8-20;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/h1-3,5-6,11-16,19H,4,7-10,17H2,(H,27,28);2*1-3,7-8,11-17H,4-6,9-10H2,(H,26,27);8-14H,2-7H2,1H3,(H,22,23).

What are the key properties of 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?

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 has a molecular weight of 1475.86 g/mol, XLogP of 21.25, 25 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158406274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).