N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

C26H25N3O4 — CID 16608425

About N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (PubChem CID 16608425) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
• PubChem CID: 16608425
• Molecular Formula: C26H25N3O4
• Molecular Weight: 443.50 g/mol
• Exact Mass: 443.18
• IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
• SMILES: Cc1cccn2cc(COc3ccc(C(=O)NCCc4ccc5c(c4)OCCO5)cc3)nc12
• InChI: InChI=1S/C26H25N3O4/c1-18-3-2-12-29-16-21(28-25(18)29)17-33-22-7-5-20(6-8-22)26(30)27-11-10-19-4-9-23-24(15-19)32-14-13-31-23/h2-9,12,15-16H,10-11,13-14,17H2,1H3,(H,27,30)
• InChIKey: SRWVMSZTALYTTB-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 74.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.50
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

The IUPAC name of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (CID 16608425) is N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

What is the SMILES notation for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

The canonical SMILES for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is Cc1cccn2cc(COc3ccc(C(=O)NCCc4ccc5c(c4)OCCO5)cc3)nc12.

What is the InChIKey of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

The InChIKey is SRWVMSZTALYTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-18-3-2-12-29-16-21(28-25(18)29)17-33-22-7-5-20(6-8-22)26(30)27-11-10-19-4-9-23-24(15-19)32-14-13-31-23/h2-9,12,15-16H,10-11,13-14,17H2,1H3,(H,27,30).

What are the key properties of N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?

N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide has a molecular weight of 443.50 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is sourced from PubChem (CID 16608425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).