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

C30H26N4O5 — CID 83285453

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

N-(3,4-dimethoxyphenyl)-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide (PubChem CID 83285453) has the molecular formula C30H26N4O5 and a molecular weight of 522.56 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-(3,4-dimethoxyphenyl)-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide
• PubChem CID: 83285453
• Molecular Formula: C30H26N4O5
• Molecular Weight: 522.56 g/mol
• Exact Mass: 522.19
• IUPAC Name: N-(3,4-dimethoxyphenyl)-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide
• SMILES: COc1ccc(NC(=O)CCc2c(-c3ccccc3)nc3ccc(-c4cccc([N+](=O)[O-])c4)cn23)cc1OC
• InChI: InChI=1S/C30H26N4O5/c1-38-26-14-12-23(18-27(26)39-2)31-29(35)16-13-25-30(20-7-4-3-5-8-20)32-28-15-11-22(19-33(25)28)21-9-6-10-24(17-21)34(36)37/h3-12,14-15,17-19H,13,16H2,1-2H3,(H,31,35)
• InChIKey: GOQLMDDXJSIGHN-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 108.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	522.56
LogP ≤ 5	6.16
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-(3,4-dimethoxyphenyl)-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide?

The IUPAC name of N-(3,4-dimethoxyphenyl)-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide (CID 83285453) is N-(3,4-dimethoxyphenyl)-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide.

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

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

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

The InChIKey is GOQLMDDXJSIGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O5/c1-38-26-14-12-23(18-27(26)39-2)31-29(35)16-13-25-30(20-7-4-3-5-8-20)32-28-15-11-22(19-33(25)28)21-9-6-10-24(17-21)34(36)37/h3-12,14-15,17-19H,13,16H2,1-2H3,(H,31,35).

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

N-(3,4-dimethoxyphenyl)-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide has a molecular weight of 522.56 g/mol, XLogP of 6.16, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethoxyphenyl)-3-[6-(3-nitrophenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]propanamide is sourced from PubChem (CID 83285453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).