N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide

C32H30N4O5 — CID 83274888

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide (PubChem CID 83274888) has the molecular formula C32H30N4O5 and a molecular weight of 550.62 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide
• PubChem CID: 83274888
• Molecular Formula: C32H30N4O5
• Molecular Weight: 550.62 g/mol
• Exact Mass: 550.22
• IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide
• SMILES: COc1ccc(CCNC(=O)CCc2c(-c3ccccc3)nc3ccc(-c4cccc([N+](=O)[O-])c4)cn23)cc1OC
• InChI: InChI=1S/C32H30N4O5/c1-40-28-14-11-22(19-29(28)41-2)17-18-33-31(37)16-13-27-32(23-7-4-3-5-8-23)34-30-15-12-25(21-35(27)30)24-9-6-10-26(20-24)36(38)39/h3-12,14-15,19-21H,13,16-18H2,1-2H3,(H,33,37)
• InChIKey: DRNXOYODCLWXHU-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 108.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	550.62
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide?

The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide (CID 83274888) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide.

What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide?

The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide is COc1ccc(CCNC(=O)CCc2c(-c3ccccc3)nc3ccc(-c4cccc([N+](=O)[O-])c4)cn23)cc1OC.

What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide?

The InChIKey is DRNXOYODCLWXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O5/c1-40-28-14-11-22(19-29(28)41-2)17-18-33-31(37)16-13-27-32(23-7-4-3-5-8-23)34-30-15-12-25(21-35(27)30)24-9-6-10-26(20-24)36(38)39/h3-12,14-15,19-21H,13,16-18H2,1-2H3,(H,33,37).

What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide?

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide has a molecular weight of 550.62 g/mol, XLogP of 5.89, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide is sourced from PubChem (CID 83274888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).