6-[6-cyclopropyl-3-(1-hydroxy-3,3-dimethylcyclopentyl)-5-(3-methoxypropoxy)-2-pyridinyl]-4-oxo-1H-pyridine-3-carboxylic acid

C25H32N2O6 — CID 167263537

About 6-[6-cyclopropyl-3-(1-hydroxy-3,3-dimethylcyclopentyl)-5-(3-methoxypropoxy)-2-pyridinyl]-4-oxo-1H-pyridine-3-carboxylic acid

6-[6-cyclopropyl-3-(1-hydroxy-3,3-dimethylcyclopentyl)-5-(3-methoxypropoxy)-2-pyridinyl]-4-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 167263537) has the molecular formula C25H32N2O6 and a molecular weight of 456.54 g/mol. Its IUPAC name is 6-[6-cyclopropyl-3-(1-hydroxy-3,3-dimethylcyclopentyl)-5-(3-methoxypropoxy)-2-pyridinyl]-4-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[6-cyclopropyl-3-(1-hydroxy-3,3-dimethylcyclopentyl)-5-(3-methoxypropoxy)-2-pyridinyl]-4-oxo-1H-pyridine-3-carboxylic acid
• PubChem CID: 167263537
• Molecular Formula: C25H32N2O6
• Molecular Weight: 456.54 g/mol
• Exact Mass: 456.23
• IUPAC Name: 6-[6-cyclopropyl-3-(1-hydroxy-3,3-dimethylcyclopentyl)-5-(3-methoxypropoxy)-2-pyridinyl]-4-oxo-1H-pyridine-3-carboxylic acid
• SMILES: COCCCOc1cc(C2(O)CCC(C)(C)C2)c(-c2cc(=O)c(C(=O)O)c[nH]2)nc1C1CC1
• InChI: InChI=1S/C25H32N2O6/c1-24(2)7-8-25(31,14-24)17-11-20(33-10-4-9-32-3)21(15-5-6-15)27-22(17)18-12-19(28)16(13-26-18)23(29)30/h11-13,15,31H,4-10,14H2,1-3H3,(H,26,28)(H,29,30)
• InChIKey: QDVXYZBGAKDWBL-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 121.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.54
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[6-cyclopropyl-3-(1-hydroxy-3,3-dimethylcyclopentyl)-5-(3-methoxypropoxy)-2-pyridinyl]-4-oxo-1H-pyridine-3-carboxylic acid?

The IUPAC name of 6-[6-cyclopropyl-3-(1-hydroxy-3,3-dimethylcyclopentyl)-5-(3-methoxypropoxy)-2-pyridinyl]-4-oxo-1H-pyridine-3-carboxylic acid (CID 167263537) is 6-[6-cyclopropyl-3-(1-hydroxy-3,3-dimethylcyclopentyl)-5-(3-methoxypropoxy)-2-pyridinyl]-4-oxo-1H-pyridine-3-carboxylic acid.

What is the SMILES notation for 6-[6-cyclopropyl-3-(1-hydroxy-3,3-dimethylcyclopentyl)-5-(3-methoxypropoxy)-2-pyridinyl]-4-oxo-1H-pyridine-3-carboxylic acid?

The canonical SMILES for 6-[6-cyclopropyl-3-(1-hydroxy-3,3-dimethylcyclopentyl)-5-(3-methoxypropoxy)-2-pyridinyl]-4-oxo-1H-pyridine-3-carboxylic acid is COCCCOc1cc(C2(O)CCC(C)(C)C2)c(-c2cc(=O)c(C(=O)O)c[nH]2)nc1C1CC1.

What is the InChIKey of 6-[6-cyclopropyl-3-(1-hydroxy-3,3-dimethylcyclopentyl)-5-(3-methoxypropoxy)-2-pyridinyl]-4-oxo-1H-pyridine-3-carboxylic acid?

The InChIKey is QDVXYZBGAKDWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O6/c1-24(2)7-8-25(31,14-24)17-11-20(33-10-4-9-32-3)21(15-5-6-15)27-22(17)18-12-19(28)16(13-26-18)23(29)30/h11-13,15,31H,4-10,14H2,1-3H3,(H,26,28)(H,29,30).

What are the key properties of 6-[6-cyclopropyl-3-(1-hydroxy-3,3-dimethylcyclopentyl)-5-(3-methoxypropoxy)-2-pyridinyl]-4-oxo-1H-pyridine-3-carboxylic acid?

6-[6-cyclopropyl-3-(1-hydroxy-3,3-dimethylcyclopentyl)-5-(3-methoxypropoxy)-2-pyridinyl]-4-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 456.54 g/mol, XLogP of 3.83, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-cyclopropyl-3-(1-hydroxy-3,3-dimethylcyclopentyl)-5-(3-methoxypropoxy)-2-pyridinyl]-4-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 167263537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).