6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C22H29N3O3 — CID 146283730

About 6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 146283730) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

• Compound Name: 6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
• PubChem CID: 146283730
• Molecular Formula: C22H29N3O3
• Molecular Weight: 383.49 g/mol
• Exact Mass: 383.22
• IUPAC Name: 6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
• SMILES: Cc1cc(OCC2(C)CCN(C(C)c3ccc4c(n3)OCCO4)C2)cc(C)n1
• InChI: InChI=1S/C22H29N3O3/c1-15-11-18(12-16(2)23-15)28-14-22(4)7-8-25(13-22)17(3)19-5-6-20-21(24-19)27-10-9-26-20/h5-6,11-12,17H,7-10,13-14H2,1-4H3
• InChIKey: DYZHKUHRJMDJED-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 56.71 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.49
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

The IUPAC name of 6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 146283730) is 6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

What is the SMILES notation for 6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

The canonical SMILES for 6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is Cc1cc(OCC2(C)CCN(C(C)c3ccc4c(n3)OCCO4)C2)cc(C)n1.

What is the InChIKey of 6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

The InChIKey is DYZHKUHRJMDJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15-11-18(12-16(2)23-15)28-14-22(4)7-8-25(13-22)17(3)19-5-6-20-21(24-19)27-10-9-26-20/h5-6,11-12,17H,7-10,13-14H2,1-4H3.

What are the key properties of 6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 383.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 146283730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).