6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)pyridine-3-carboxamide

C29H30N4O4S — CID 166817785

About 6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)pyridine-3-carboxamide

6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)pyridine-3-carboxamide (PubChem CID 166817785) has the molecular formula C29H30N4O4S and a molecular weight of 530.65 g/mol. Its IUPAC name is 6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)pyridine-3-carboxamide
• PubChem CID: 166817785
• Molecular Formula: C29H30N4O4S
• Molecular Weight: 530.65 g/mol
• Exact Mass: 530.20
• IUPAC Name: 6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)pyridine-3-carboxamide
• SMILES: O=C1CCC(N2Cc3c(SCc4ccc(C(=O)NC56CC7CC(CC5C7)C6)cn4)cccc3C2=O)C(=O)N1
• InChI: InChI=1S/C29H30N4O4S/c34-25-7-6-23(27(36)31-25)33-14-22-21(28(33)37)2-1-3-24(22)38-15-20-5-4-18(13-30-20)26(35)32-29-11-16-8-17(12-29)10-19(29)9-16/h1-5,13,16-17,19,23H,6-12,14-15H2,(H,32,35)(H,31,34,36)
• InChIKey: TXBRKMFYOCJRLT-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 108.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.65
LogP ≤ 5	3.44
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 6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)pyridine-3-carboxamide?

The IUPAC name of 6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)pyridine-3-carboxamide (CID 166817785) is 6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)pyridine-3-carboxamide.

What is the SMILES notation for 6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)pyridine-3-carboxamide?

The canonical SMILES for 6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)pyridine-3-carboxamide is O=C1CCC(N2Cc3c(SCc4ccc(C(=O)NC56CC7CC(CC5C7)C6)cn4)cccc3C2=O)C(=O)N1.

What is the InChIKey of 6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)pyridine-3-carboxamide?

The InChIKey is TXBRKMFYOCJRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4S/c34-25-7-6-23(27(36)31-25)33-14-22-21(28(33)37)2-1-3-24(22)38-15-20-5-4-18(13-30-20)26(35)32-29-11-16-8-17(12-29)10-19(29)9-16/h1-5,13,16-17,19,23H,6-12,14-15H2,(H,32,35)(H,31,34,36).

What are the key properties of 6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)pyridine-3-carboxamide?

6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)pyridine-3-carboxamide has a molecular weight of 530.65 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanylmethyl]-N-(3-tricyclo[3.3.1.03,7]nonanyl)pyridine-3-carboxamide is sourced from PubChem (CID 166817785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).