N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide

C23H20N4O5 — CID 167827446

About N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide

N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide (PubChem CID 167827446) has the molecular formula C23H20N4O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide.

Molecular Properties

• Compound Name: N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide
• PubChem CID: 167827446
• Molecular Formula: C23H20N4O5
• Molecular Weight: 432.44 g/mol
• Exact Mass: 432.14
• IUPAC Name: N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide
• SMILES: O=C1CCC(N2C(=O)c3cccc(C(=O)NCc4cncc5c4CCC5)c3C2=O)C(=O)N1
• InChI: InChI=1S/C23H20N4O5/c28-18-8-7-17(21(30)26-18)27-22(31)16-6-2-5-15(19(16)23(27)32)20(29)25-11-13-10-24-9-12-3-1-4-14(12)13/h2,5-6,9-10,17H,1,3-4,7-8,11H2,(H,25,29)(H,26,28,30)
• InChIKey: QPOAKDZKMXCUST-UHFFFAOYSA-N
• XLogP: 0.90
• TPSA: 125.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.44
LogP ≤ 5	0.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide?

The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide (CID 167827446) is N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide.

What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide?

The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide is O=C1CCC(N2C(=O)c3cccc(C(=O)NCc4cncc5c4CCC5)c3C2=O)C(=O)N1.

What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide?

The InChIKey is QPOAKDZKMXCUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O5/c28-18-8-7-17(21(30)26-18)27-22(31)16-6-2-5-15(19(16)23(27)32)20(29)25-11-13-10-24-9-12-3-1-4-14(12)13/h2,5-6,9-10,17H,1,3-4,7-8,11H2,(H,25,29)(H,26,28,30).

What are the key properties of N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide?

N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide has a molecular weight of 432.44 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindole-4-carboxamide is sourced from PubChem (CID 167827446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).