N-[4,6-di(cyclobutyloxy)pyrimidin-2-yl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide

C26H27N5O6 — CID 176972033

About N-[4,6-di(cyclobutyloxy)pyrimidin-2-yl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide

N-[4,6-di(cyclobutyloxy)pyrimidin-2-yl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide (PubChem CID 176972033) has the molecular formula C26H27N5O6 and a molecular weight of 505.53 g/mol. Its IUPAC name is N-[4,6-di(cyclobutyloxy)pyrimidin-2-yl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4,6-di(cyclobutyloxy)pyrimidin-2-yl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
• PubChem CID: 176972033
• Molecular Formula: C26H27N5O6
• Molecular Weight: 505.53 g/mol
• Exact Mass: 505.20
• IUPAC Name: N-[4,6-di(cyclobutyloxy)pyrimidin-2-yl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
• SMILES: O=C1CCC(N2Cc3cc(C(=O)Nc4nc(OC5CCC5)cc(OC5CCC5)n4)ccc3C2=O)C(=O)N1
• InChI: InChI=1S/C26H27N5O6/c32-20-10-9-19(24(34)27-20)31-13-15-11-14(7-8-18(15)25(31)35)23(33)30-26-28-21(36-16-3-1-4-16)12-22(29-26)37-17-5-2-6-17/h7-8,11-12,16-17,19H,1-6,9-10,13H2,(H,27,32,34)(H,28,29,30,33)
• InChIKey: YJWXWIWJZAEPET-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 139.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.53
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4,6-di(cyclobutyloxy)pyrimidin-2-yl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide?

The IUPAC name of N-[4,6-di(cyclobutyloxy)pyrimidin-2-yl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide (CID 176972033) is N-[4,6-di(cyclobutyloxy)pyrimidin-2-yl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide.

What is the SMILES notation for N-[4,6-di(cyclobutyloxy)pyrimidin-2-yl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide?

The canonical SMILES for N-[4,6-di(cyclobutyloxy)pyrimidin-2-yl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide is O=C1CCC(N2Cc3cc(C(=O)Nc4nc(OC5CCC5)cc(OC5CCC5)n4)ccc3C2=O)C(=O)N1.

What is the InChIKey of N-[4,6-di(cyclobutyloxy)pyrimidin-2-yl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide?

The InChIKey is YJWXWIWJZAEPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O6/c32-20-10-9-19(24(34)27-20)31-13-15-11-14(7-8-18(15)25(31)35)23(33)30-26-28-21(36-16-3-1-4-16)12-22(29-26)37-17-5-2-6-17/h7-8,11-12,16-17,19H,1-6,9-10,13H2,(H,27,32,34)(H,28,29,30,33).

What are the key properties of N-[4,6-di(cyclobutyloxy)pyrimidin-2-yl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide?

N-[4,6-di(cyclobutyloxy)pyrimidin-2-yl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide has a molecular weight of 505.53 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,6-di(cyclobutyloxy)pyrimidin-2-yl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide is sourced from PubChem (CID 176972033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).