1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid

C17H21NO3 — CID 23044238

About 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid

1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid (PubChem CID 23044238) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid.

Molecular Properties

• Compound Name: 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
• PubChem CID: 23044238
• Molecular Formula: C17H21NO3
• Molecular Weight: 287.36 g/mol
• Exact Mass: 287.15
• IUPAC Name: 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
• SMILES: COc1ccc2c(c1)C(CN1CCC=C(C(=O)O)C1)CC2
• InChI: InChI=1S/C17H21NO3/c1-21-15-7-6-12-4-5-13(16(12)9-15)10-18-8-2-3-14(11-18)17(19)20/h3,6-7,9,13H,2,4-5,8,10-11H2,1H3,(H,19,20)
• InChIKey: MVKIBULZXDTNMV-UHFFFAOYSA-N
• XLogP: 2.44
• TPSA: 49.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.36
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?

The IUPAC name of 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid (CID 23044238) is 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid.

What is the SMILES notation for 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?

The canonical SMILES for 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid is COc1ccc2c(c1)C(CN1CCC=C(C(=O)O)C1)CC2.

What is the InChIKey of 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?

The InChIKey is MVKIBULZXDTNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-21-15-7-6-12-4-5-13(16(12)9-15)10-18-8-2-3-14(11-18)17(19)20/h3,6-7,9,13H,2,4-5,8,10-11H2,1H3,(H,19,20).

What are the key properties of 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid?

1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid is sourced from PubChem (CID 23044238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).