2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethoxymethyl]phenoxy]acetamide

C27H31N5O3 — CID 58387816

About 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethoxymethyl]phenoxy]acetamide

2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethoxymethyl]phenoxy]acetamide (PubChem CID 58387816) has the molecular formula C27H31N5O3 and a molecular weight of 473.58 g/mol. Its IUPAC name is 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethoxymethyl]phenoxy]acetamide.

Molecular Properties

• Compound Name: 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethoxymethyl]phenoxy]acetamide
• PubChem CID: 58387816
• Molecular Formula: C27H31N5O3
• Molecular Weight: 473.58 g/mol
• Exact Mass: 473.24
• IUPAC Name: 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethoxymethyl]phenoxy]acetamide
• SMILES: CNCCOCc1cccc(OCC(N)=O)c1-c1nc2ccccn2c1Nc1c(C)cccc1C
• InChI: InChI=1S/C27H31N5O3/c1-18-8-6-9-19(2)25(18)31-27-26(30-23-12-4-5-14-32(23)27)24-20(16-34-15-13-29-3)10-7-11-21(24)35-17-22(28)33/h4-12,14,29,31H,13,15-17H2,1-3H3,(H2,28,33)
• InChIKey: DCVBCDFONWDENC-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 102.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.58
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethoxymethyl]phenoxy]acetamide?

The IUPAC name of 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethoxymethyl]phenoxy]acetamide (CID 58387816) is 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethoxymethyl]phenoxy]acetamide.

What is the SMILES notation for 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethoxymethyl]phenoxy]acetamide?

The canonical SMILES for 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethoxymethyl]phenoxy]acetamide is CNCCOCc1cccc(OCC(N)=O)c1-c1nc2ccccn2c1Nc1c(C)cccc1C.

What is the InChIKey of 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethoxymethyl]phenoxy]acetamide?

The InChIKey is DCVBCDFONWDENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O3/c1-18-8-6-9-19(2)25(18)31-27-26(30-23-12-4-5-14-32(23)27)24-20(16-34-15-13-29-3)10-7-11-21(24)35-17-22(28)33/h4-12,14,29,31H,13,15-17H2,1-3H3,(H2,28,33).

What are the key properties of 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethoxymethyl]phenoxy]acetamide?

2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethoxymethyl]phenoxy]acetamide has a molecular weight of 473.58 g/mol, XLogP of 3.96, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-[2-(methylamino)ethoxymethyl]phenoxy]acetamide is sourced from PubChem (CID 58387816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).