N-[2-amino-5-[3-[[4-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]octanoylamino]ethyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-ethyl-N-methylethanamine

C52H67F3N10O6 — CID 167707895

About N-[2-amino-5-[3-[[4-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]octanoylamino]ethyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-ethyl-N-methylethanamine

N-[2-amino-5-[3-[[4-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]octanoylamino]ethyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-ethyl-N-methylethanamine (PubChem CID 167707895) has the molecular formula C52H67F3N10O6 and a molecular weight of 985.17 g/mol. Its IUPAC name is N-[2-amino-5-[3-[[4-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]octanoylamino]ethyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-ethyl-N-methylethanamine.

Molecular Properties

• Compound Name: N-[2-amino-5-[3-[[4-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]octanoylamino]ethyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-ethyl-N-methylethanamine
• PubChem CID: 167707895
• Molecular Formula: C52H67F3N10O6
• Molecular Weight: 985.17 g/mol
• Exact Mass: 984.52
• IUPAC Name: N-[2-amino-5-[3-[[4-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]octanoylamino]ethyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-ethyl-N-methylethanamine
• SMILES: CCN(C)CC.Nc1ccc(-c2cccc(CN3CCN(CCNC(=O)CCCCCCCNc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)c2)cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F
• InChI: InChI=1S/C47H54F3N9O6.C5H13N/c48-47(49,50)36-26-43(62)54-27-34(36)44(63)55-39-25-32(13-14-37(39)51)31-9-6-8-30(24-31)28-58-22-20-57(21-23-58)19-18-53-41(60)12-4-2-1-3-5-17-52-38-11-7-10-33-35(38)29-59(46(33)65)40-15-16-42(61)56-45(40)64;1-4-6(3)5-2/h6-11,13-14,24-27,40,52H,1-5,12,15-23,28-29,51H2,(H,53,60)(H,54,62)(H,55,63)(H,56,61,64);4-5H2,1-3H3
• InChIKey: ZJNASWJRFOHBSQ-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 205.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	985.17
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-[3-[[4-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]octanoylamino]ethyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-ethyl-N-methylethanamine?

The IUPAC name of N-[2-amino-5-[3-[[4-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]octanoylamino]ethyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-ethyl-N-methylethanamine (CID 167707895) is N-[2-amino-5-[3-[[4-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]octanoylamino]ethyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-ethyl-N-methylethanamine.

What is the SMILES notation for N-[2-amino-5-[3-[[4-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]octanoylamino]ethyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-ethyl-N-methylethanamine?

The canonical SMILES for N-[2-amino-5-[3-[[4-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]octanoylamino]ethyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-ethyl-N-methylethanamine is CCN(C)CC.Nc1ccc(-c2cccc(CN3CCN(CCNC(=O)CCCCCCCNc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)CC3)c2)cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F.

What is the InChIKey of N-[2-amino-5-[3-[[4-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]octanoylamino]ethyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-ethyl-N-methylethanamine?

The InChIKey is ZJNASWJRFOHBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H54F3N9O6.C5H13N/c48-47(49,50)36-26-43(62)54-27-34(36)44(63)55-39-25-32(13-14-37(39)51)31-9-6-8-30(24-31)28-58-22-20-57(21-23-58)19-18-53-41(60)12-4-2-1-3-5-17-52-38-11-7-10-33-35(38)29-59(46(33)65)40-15-16-42(61)56-45(40)64;1-4-6(3)5-2/h6-11,13-14,24-27,40,52H,1-5,12,15-23,28-29,51H2,(H,53,60)(H,54,62)(H,55,63)(H,56,61,64);4-5H2,1-3H3.

What are the key properties of N-[2-amino-5-[3-[[4-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]octanoylamino]ethyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-ethyl-N-methylethanamine?

N-[2-amino-5-[3-[[4-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]octanoylamino]ethyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-ethyl-N-methylethanamine has a molecular weight of 985.17 g/mol, XLogP of 6.30, 20 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-5-[3-[[4-[2-[8-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]octanoylamino]ethyl]piperazin-1-yl]methyl]phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide;N-ethyl-N-methylethanamine is sourced from PubChem (CID 167707895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).