4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine-3-carboxamide

C24H24N6O4 — CID 175822690

About 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine-3-carboxamide

4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine-3-carboxamide (PubChem CID 175822690) has the molecular formula C24H24N6O4 and a molecular weight of 460.49 g/mol. Its IUPAC name is 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine-3-carboxamide
• PubChem CID: 175822690
• Molecular Formula: C24H24N6O4
• Molecular Weight: 460.49 g/mol
• Exact Mass: 460.19
• IUPAC Name: 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine-3-carboxamide
• SMILES: NC(=O)c1nnc(C2=CCNCC2)cc1Cc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C24H24N6O4/c25-22(32)21-15(11-18(28-29-21)14-5-7-26-8-6-14)9-13-1-2-17-16(10-13)12-30(24(17)34)19-3-4-20(31)27-23(19)33/h1-2,5,10-11,19,26H,3-4,6-9,12H2,(H2,25,32)(H,27,31,33)
• InChIKey: ZAHJHSSOABAKCK-UHFFFAOYSA-N
• XLogP: 0.30
• TPSA: 147.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.49
LogP ≤ 5	0.30
H-Bond Donors ≤ 5	3
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 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine-3-carboxamide?

The IUPAC name of 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine-3-carboxamide (CID 175822690) is 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine-3-carboxamide.

What is the SMILES notation for 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine-3-carboxamide?

The canonical SMILES for 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine-3-carboxamide is NC(=O)c1nnc(C2=CCNCC2)cc1Cc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine-3-carboxamide?

The InChIKey is ZAHJHSSOABAKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O4/c25-22(32)21-15(11-18(28-29-21)14-5-7-26-8-6-14)9-13-1-2-17-16(10-13)12-30(24(17)34)19-3-4-20(31)27-23(19)33/h1-2,5,10-11,19,26H,3-4,6-9,12H2,(H2,25,32)(H,27,31,33).

What are the key properties of 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine-3-carboxamide?

4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine-3-carboxamide has a molecular weight of 460.49 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl]-6-(1,2,3,6-tetrahydropyridin-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 175822690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).