N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1,2-dihydroinden-5-yl]oxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide

C51H62N6O8 — CID 135167772

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1,2-dihydroinden-5-yl]oxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1,2-dihydroinden-5-yl]oxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide (PubChem CID 135167772) has the molecular formula C51H62N6O8 and a molecular weight of 887.09 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1,2-dihydroinden-5-yl]oxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1,2-dihydroinden-5-yl]oxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
• PubChem CID: 135167772
• Molecular Formula: C51H62N6O8
• Molecular Weight: 887.09 g/mol
• Exact Mass: 886.46
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1,2-dihydroinden-5-yl]oxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
• SMILES: CCN(c1cc(-c2ccc(N3CCN(CCOCCOc4ccc5c(c4)C(=O)C(C4CCC(=O)NC4=O)C5)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
• InChI: InChI=1S/C51H62N6O8/c1-5-57(39-14-21-63-22-15-39)46-29-37(28-42(34(46)4)49(60)52-31-45-32(2)26-33(3)53-51(45)62)35-6-9-38(10-7-35)56-18-16-55(17-19-56)20-23-64-24-25-65-40-11-8-36-27-44(48(59)43(36)30-40)41-12-13-47(58)54-50(41)61/h6-11,26,28-30,39,41,44H,5,12-25,27,31H2,1-4H3,(H,52,60)(H,53,62)(H,54,58,61)
• InChIKey: SKNZLEJLCZYRGH-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 162.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 16
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	887.09
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1,2-dihydroinden-5-yl]oxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1,2-dihydroinden-5-yl]oxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide (CID 135167772) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1,2-dihydroinden-5-yl]oxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1,2-dihydroinden-5-yl]oxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1,2-dihydroinden-5-yl]oxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide is CCN(c1cc(-c2ccc(N3CCN(CCOCCOc4ccc5c(c4)C(=O)C(C4CCC(=O)NC4=O)C5)CC3)cc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1,2-dihydroinden-5-yl]oxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?

The InChIKey is SKNZLEJLCZYRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H62N6O8/c1-5-57(39-14-21-63-22-15-39)46-29-37(28-42(34(46)4)49(60)52-31-45-32(2)26-33(3)53-51(45)62)35-6-9-38(10-7-35)56-18-16-55(17-19-56)20-23-64-24-25-65-40-11-8-36-27-44(48(59)43(36)30-40)41-12-13-47(58)54-50(41)61/h6-11,26,28-30,39,41,44H,5,12-25,27,31H2,1-4H3,(H,52,60)(H,53,62)(H,54,58,61).

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1,2-dihydroinden-5-yl]oxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1,2-dihydroinden-5-yl]oxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide has a molecular weight of 887.09 g/mol, XLogP of 5.53, 16 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[4-[4-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1,2-dihydroinden-5-yl]oxy]ethoxy]ethyl]piperazin-1-yl]phenyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide is sourced from PubChem (CID 135167772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).