3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid

C26H26N2O2 — CID 148521078

About 3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid

3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid (PubChem CID 148521078) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid.

Molecular Properties

• Compound Name: 3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
• PubChem CID: 148521078
• Molecular Formula: C26H26N2O2
• Molecular Weight: 398.51 g/mol
• Exact Mass: 398.20
• IUPAC Name: 3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid
• SMILES: O=C(O)c1ccncc1CCC1CCCc2cc(N3CCc4ccccc43)ccc21
• InChI: InChI=1S/C26H26N2O2/c29-26(30)24-12-14-27-17-21(24)9-8-18-5-3-6-20-16-22(10-11-23(18)20)28-15-13-19-4-1-2-7-25(19)28/h1-2,4,7,10-12,14,16-18H,3,5-6,8-9,13,15H2,(H,29,30)
• InChIKey: MOKNNTJWHSKPAP-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 53.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.51
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?

The IUPAC name of 3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid (CID 148521078) is 3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid.

What is the SMILES notation for 3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?

The canonical SMILES for 3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid is O=C(O)c1ccncc1CCC1CCCc2cc(N3CCc4ccccc43)ccc21.

What is the InChIKey of 3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?

The InChIKey is MOKNNTJWHSKPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c29-26(30)24-12-14-27-17-21(24)9-8-18-5-3-6-20-16-22(10-11-23(18)20)28-15-13-19-4-1-2-7-25(19)28/h1-2,4,7,10-12,14,16-18H,3,5-6,8-9,13,15H2,(H,29,30).

What are the key properties of 3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid?

3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid has a molecular weight of 398.51 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[6-(2,3-dihydroindol-1-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]ethyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 148521078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).