N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carboxamide

C38H37ClN8O7 — CID 166847361

About N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carboxamide

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carboxamide (PubChem CID 166847361) has the molecular formula C38H37ClN8O7 and a molecular weight of 753.22 g/mol. Its IUPAC name is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carboxamide
• PubChem CID: 166847361
• Molecular Formula: C38H37ClN8O7
• Molecular Weight: 753.22 g/mol
• Exact Mass: 752.25
• IUPAC Name: N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carboxamide
• SMILES: N#Cc1ccc(OC2CCC(NC(=O)c3ccc(NCCNCC(=O)N4Cc5cc6c(cc5C4)C(=O)N(C4CCC(=O)NC4=O)C6=O)nc3)CC2)cc1Cl
• InChI: InChI=1S/C38H37ClN8O7/c39-30-15-27(5-1-21(30)16-40)54-26-6-3-25(4-7-26)44-35(50)22-2-9-32(43-17-22)42-12-11-41-18-34(49)46-19-23-13-28-29(14-24(23)20-46)38(53)47(37(28)52)31-8-10-33(48)45-36(31)51/h1-2,5,9,13-15,17,25-26,31,41H,3-4,6-8,10-12,18-20H2,(H,42,43)(H,44,50)(H,45,48,51)
• InChIKey: MPNJBSWDIMUTKI-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 202.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.22
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	4
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-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carboxamide?

The IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carboxamide (CID 166847361) is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carboxamide?

The canonical SMILES for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carboxamide is N#Cc1ccc(OC2CCC(NC(=O)c3ccc(NCCNCC(=O)N4Cc5cc6c(cc5C4)C(=O)N(C4CCC(=O)NC4=O)C6=O)nc3)CC2)cc1Cl.

What is the InChIKey of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carboxamide?

The InChIKey is MPNJBSWDIMUTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37ClN8O7/c39-30-15-27(5-1-21(30)16-40)54-26-6-3-25(4-7-26)44-35(50)22-2-9-32(43-17-22)42-12-11-41-18-34(49)46-19-23-13-28-29(14-24(23)20-46)38(53)47(37(28)52)31-8-10-33(48)45-36(31)51/h1-2,5,9,13-15,17,25-26,31,41H,3-4,6-8,10-12,18-20H2,(H,42,43)(H,44,50)(H,45,48,51).

What are the key properties of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carboxamide?

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carboxamide has a molecular weight of 753.22 g/mol, XLogP of 2.67, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[2-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-5,7-dihydropyrrolo[3,4-f]isoindol-6-yl]-2-oxoethyl]amino]ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 166847361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).