2,3-dihydroindol-1-yl-[2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-pyridinyl]methanone

C25H25N3O2 — CID 133321187

About 2,3-dihydroindol-1-yl-[2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-pyridinyl]methanone

2,3-dihydroindol-1-yl-[2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-pyridinyl]methanone (PubChem CID 133321187) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: 2,3-dihydroindol-1-yl-[2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-pyridinyl]methanone
• PubChem CID: 133321187
• Molecular Formula: C25H25N3O2
• Molecular Weight: 399.49 g/mol
• Exact Mass: 399.19
• IUPAC Name: 2,3-dihydroindol-1-yl-[2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-pyridinyl]methanone
• SMILES: O=C(c1cccnc1NCC1(O)CCCc2ccccc21)N1CCc2ccccc21
• InChI: InChI=1S/C25H25N3O2/c29-24(28-16-13-19-8-2-4-12-22(19)28)20-10-6-15-26-23(20)27-17-25(30)14-5-9-18-7-1-3-11-21(18)25/h1-4,6-8,10-12,15,30H,5,9,13-14,16-17H2,(H,26,27)
• InChIKey: FRLWLIMQMHMXET-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 65.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.49
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-pyridinyl]methanone?

The IUPAC name of 2,3-dihydroindol-1-yl-[2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-pyridinyl]methanone (CID 133321187) is 2,3-dihydroindol-1-yl-[2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-pyridinyl]methanone.

What is the SMILES notation for 2,3-dihydroindol-1-yl-[2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-pyridinyl]methanone?

The canonical SMILES for 2,3-dihydroindol-1-yl-[2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-pyridinyl]methanone is O=C(c1cccnc1NCC1(O)CCCc2ccccc21)N1CCc2ccccc21.

What is the InChIKey of 2,3-dihydroindol-1-yl-[2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-pyridinyl]methanone?

The InChIKey is FRLWLIMQMHMXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-24(28-16-13-19-8-2-4-12-22(19)28)20-10-6-15-26-23(20)27-17-25(30)14-5-9-18-7-1-3-11-21(18)25/h1-4,6-8,10-12,15,30H,5,9,13-14,16-17H2,(H,26,27).

What are the key properties of 2,3-dihydroindol-1-yl-[2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-pyridinyl]methanone?

2,3-dihydroindol-1-yl-[2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-pyridinyl]methanone has a molecular weight of 399.49 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydroindol-1-yl-[2-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 133321187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).