N-[1-[2-[4-[[[[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]carbamoyl]amino]methyl]phenyl]butan-2-yloxy]-3-methylpentan-3-yl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide

C57H63N9O9 — CID 166690392

About N-[1-[2-[4-[[[[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]carbamoyl]amino]methyl]phenyl]butan-2-yloxy]-3-methylpentan-3-yl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide

N-[1-[2-[4-[[[[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]carbamoyl]amino]methyl]phenyl]butan-2-yloxy]-3-methylpentan-3-yl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide (PubChem CID 166690392) has the molecular formula C57H63N9O9 and a molecular weight of 1018.18 g/mol. Its IUPAC name is N-[1-[2-[4-[[[[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]carbamoyl]amino]methyl]phenyl]butan-2-yloxy]-3-methylpentan-3-yl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide.

Molecular Properties

• Compound Name: N-[1-[2-[4-[[[[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]carbamoyl]amino]methyl]phenyl]butan-2-yloxy]-3-methylpentan-3-yl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
• PubChem CID: 166690392
• Molecular Formula: C57H63N9O9
• Molecular Weight: 1018.18 g/mol
• Exact Mass: 1017.47
• IUPAC Name: N-[1-[2-[4-[[[[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]carbamoyl]amino]methyl]phenyl]butan-2-yloxy]-3-methylpentan-3-yl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
• SMILES: CCC(C)(CCOC(C)(CC)c1ccc(CNC(=O)N(c2ccc(-c3ccc(=O)n(C)c3)cc2)C2CCC(Nc3ccc(C#N)cn3)CC2)cc1)NC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
• InChI: InChI=1S/C57H63N9O9/c1-6-56(3,63-49(68)35-74-46-10-8-9-44-51(46)54(72)66(53(44)71)45-25-27-48(67)62-52(45)70)29-30-75-57(4,7-2)40-17-11-36(12-18-40)32-60-55(73)65(42-21-14-38(15-22-42)39-16-28-50(69)64(5)34-39)43-23-19-41(20-24-43)61-47-26-13-37(31-58)33-59-47/h8-18,21-22,26,28,33-34,41,43,45H,6-7,19-20,23-25,27,29-30,32,35H2,1-5H3,(H,59,61)(H,60,73)(H,63,68)(H,62,67,70)
• InChIKey: BWCTUWLOZJMUDA-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 234.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1018.18
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-[[[[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]carbamoyl]amino]methyl]phenyl]butan-2-yloxy]-3-methylpentan-3-yl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?

The IUPAC name of N-[1-[2-[4-[[[[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]carbamoyl]amino]methyl]phenyl]butan-2-yloxy]-3-methylpentan-3-yl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide (CID 166690392) is N-[1-[2-[4-[[[[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]carbamoyl]amino]methyl]phenyl]butan-2-yloxy]-3-methylpentan-3-yl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide.

What is the SMILES notation for N-[1-[2-[4-[[[[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]carbamoyl]amino]methyl]phenyl]butan-2-yloxy]-3-methylpentan-3-yl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?

The canonical SMILES for N-[1-[2-[4-[[[[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]carbamoyl]amino]methyl]phenyl]butan-2-yloxy]-3-methylpentan-3-yl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide is CCC(C)(CCOC(C)(CC)c1ccc(CNC(=O)N(c2ccc(-c3ccc(=O)n(C)c3)cc2)C2CCC(Nc3ccc(C#N)cn3)CC2)cc1)NC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.

What is the InChIKey of N-[1-[2-[4-[[[[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]carbamoyl]amino]methyl]phenyl]butan-2-yloxy]-3-methylpentan-3-yl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?

The InChIKey is BWCTUWLOZJMUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H63N9O9/c1-6-56(3,63-49(68)35-74-46-10-8-9-44-51(46)54(72)66(53(44)71)45-25-27-48(67)62-52(45)70)29-30-75-57(4,7-2)40-17-11-36(12-18-40)32-60-55(73)65(42-21-14-38(15-22-42)39-16-28-50(69)64(5)34-39)43-23-19-41(20-24-43)61-47-26-13-37(31-58)33-59-47/h8-18,21-22,26,28,33-34,41,43,45H,6-7,19-20,23-25,27,29-30,32,35H2,1-5H3,(H,59,61)(H,60,73)(H,63,68)(H,62,67,70).

What are the key properties of N-[1-[2-[4-[[[[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]carbamoyl]amino]methyl]phenyl]butan-2-yloxy]-3-methylpentan-3-yl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide?

N-[1-[2-[4-[[[[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]carbamoyl]amino]methyl]phenyl]butan-2-yloxy]-3-methylpentan-3-yl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide has a molecular weight of 1018.18 g/mol, XLogP of 7.26, 19 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[4-[[[[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]-[4-(1-methyl-6-oxo-3-pyridinyl)phenyl]carbamoyl]amino]methyl]phenyl]butan-2-yloxy]-3-methylpentan-3-yl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide is sourced from PubChem (CID 166690392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).