3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-[3-[[2-methoxyethyl(methyl)amino]methyl]-4-pyridin-4-ylphenyl]propanamide

C32H35N5O5 — CID 171484495

About 3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-[3-[[2-methoxyethyl(methyl)amino]methyl]-4-pyridin-4-ylphenyl]propanamide

3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-[3-[[2-methoxyethyl(methyl)amino]methyl]-4-pyridin-4-ylphenyl]propanamide (PubChem CID 171484495) has the molecular formula C32H35N5O5 and a molecular weight of 569.66 g/mol. Its IUPAC name is 3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-[3-[[2-methoxyethyl(methyl)amino]methyl]-4-pyridin-4-ylphenyl]propanamide.

Molecular Properties

• Compound Name: 3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-[3-[[2-methoxyethyl(methyl)amino]methyl]-4-pyridin-4-ylphenyl]propanamide
• PubChem CID: 171484495
• Molecular Formula: C32H35N5O5
• Molecular Weight: 569.66 g/mol
• Exact Mass: 569.26
• IUPAC Name: 3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-[3-[[2-methoxyethyl(methyl)amino]methyl]-4-pyridin-4-ylphenyl]propanamide
• SMILES: COCCN(C)Cc1cc(NC(=O)CCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)ccc1-c1ccncc1
• InChI: InChI=1S/C32H35N5O5/c1-36(15-16-42-2)19-24-18-25(6-7-26(24)22-11-13-33-14-12-22)34-29(38)9-4-21-3-5-23-20-37(32(41)27(23)17-21)28-8-10-30(39)35-31(28)40/h3,5-7,11-14,17-18,28H,4,8-10,15-16,19-20H2,1-2H3,(H,34,38)(H,35,39,40)
• InChIKey: LHPILCAMVKRKMJ-UHFFFAOYSA-N
• XLogP: 3.16
• TPSA: 120.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.66
LogP ≤ 5	3.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-[3-[[2-methoxyethyl(methyl)amino]methyl]-4-pyridin-4-ylphenyl]propanamide?

The IUPAC name of 3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-[3-[[2-methoxyethyl(methyl)amino]methyl]-4-pyridin-4-ylphenyl]propanamide (CID 171484495) is 3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-[3-[[2-methoxyethyl(methyl)amino]methyl]-4-pyridin-4-ylphenyl]propanamide.

What is the SMILES notation for 3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-[3-[[2-methoxyethyl(methyl)amino]methyl]-4-pyridin-4-ylphenyl]propanamide?

The canonical SMILES for 3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-[3-[[2-methoxyethyl(methyl)amino]methyl]-4-pyridin-4-ylphenyl]propanamide is COCCN(C)Cc1cc(NC(=O)CCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)ccc1-c1ccncc1.

What is the InChIKey of 3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-[3-[[2-methoxyethyl(methyl)amino]methyl]-4-pyridin-4-ylphenyl]propanamide?

The InChIKey is LHPILCAMVKRKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O5/c1-36(15-16-42-2)19-24-18-25(6-7-26(24)22-11-13-33-14-12-22)34-29(38)9-4-21-3-5-23-20-37(32(41)27(23)17-21)28-8-10-30(39)35-31(28)40/h3,5-7,11-14,17-18,28H,4,8-10,15-16,19-20H2,1-2H3,(H,34,38)(H,35,39,40).

What are the key properties of 3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-[3-[[2-methoxyethyl(methyl)amino]methyl]-4-pyridin-4-ylphenyl]propanamide?

3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-[3-[[2-methoxyethyl(methyl)amino]methyl]-4-pyridin-4-ylphenyl]propanamide has a molecular weight of 569.66 g/mol, XLogP of 3.16, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-N-[3-[[2-methoxyethyl(methyl)amino]methyl]-4-pyridin-4-ylphenyl]propanamide is sourced from PubChem (CID 171484495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).