6-[2-[[1-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide

C31H37N9O4 — CID 162767789

About 6-[2-[[1-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide

6-[2-[[1-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide (PubChem CID 162767789) has the molecular formula C31H37N9O4 and a molecular weight of 599.70 g/mol. Its IUPAC name is 6-[2-[[1-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[2-[[1-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide
• PubChem CID: 162767789
• Molecular Formula: C31H37N9O4
• Molecular Weight: 599.70 g/mol
• Exact Mass: 599.30
• IUPAC Name: 6-[2-[[1-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide
• SMILES: NC(=O)c1ccc(N2CCC3(CC2)CN(CC2CCN(c4ccc5c(=O)n(C6CCC(=O)NC6=O)nnc5c4)CC2)C3)nc1
• InChI: InChI=1S/C31H37N9O4/c32-28(42)21-1-5-26(33-16-21)39-13-9-31(10-14-39)18-37(19-31)17-20-7-11-38(12-8-20)22-2-3-23-24(15-22)35-36-40(30(23)44)25-4-6-27(41)34-29(25)43/h1-3,5,15-16,20,25H,4,6-14,17-19H2,(H2,32,42)(H,34,41,43)
• InChIKey: AOZRBZGXBPXHTC-UHFFFAOYSA-N
• XLogP: 1.08
• TPSA: 159.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	599.70
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[1-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide?

The IUPAC name of 6-[2-[[1-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide (CID 162767789) is 6-[2-[[1-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[2-[[1-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide?

The canonical SMILES for 6-[2-[[1-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide is NC(=O)c1ccc(N2CCC3(CC2)CN(CC2CCN(c4ccc5c(=O)n(C6CCC(=O)NC6=O)nnc5c4)CC2)C3)nc1.

What is the InChIKey of 6-[2-[[1-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide?

The InChIKey is AOZRBZGXBPXHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N9O4/c32-28(42)21-1-5-26(33-16-21)39-13-9-31(10-14-39)18-37(19-31)17-20-7-11-38(12-8-20)22-2-3-23-24(15-22)35-36-40(30(23)44)25-4-6-27(41)34-29(25)43/h1-3,5,15-16,20,25H,4,6-14,17-19H2,(H2,32,42)(H,34,41,43).

What are the key properties of 6-[2-[[1-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide?

6-[2-[[1-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide has a molecular weight of 599.70 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[1-[3-(2,6-dioxopiperidin-3-yl)-4-oxo-1,2,3-benzotriazin-7-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 162767789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).