N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]piperidin-4-yl]pyridine-3-carboxamide

C43H47ClN6O7 — CID 175100782

About N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]piperidin-4-yl]pyridine-3-carboxamide

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 175100782) has the molecular formula C43H47ClN6O7 and a molecular weight of 795.34 g/mol. Its IUPAC name is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]piperidin-4-yl]pyridine-3-carboxamide
• PubChem CID: 175100782
• Molecular Formula: C43H47ClN6O7
• Molecular Weight: 795.34 g/mol
• Exact Mass: 794.32
• IUPAC Name: N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]piperidin-4-yl]pyridine-3-carboxamide
• SMILES: CC1(C)C(NC(=O)c2ccc(C3CCN(CCCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nc2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1
• InChI: InChI=1S/C43H47ClN6O7/c1-42(2)40(43(3,4)41(42)57-29-9-7-26(23-45)32(44)22-29)48-36(52)27-8-12-33(46-24-27)25-15-18-49(19-16-25)17-5-6-20-56-28-10-11-30-31(21-28)39(55)50(38(30)54)34-13-14-35(51)47-37(34)53/h7-12,21-22,24-25,34,40-41H,5-6,13-20H2,1-4H3,(H,48,52)(H,47,51,53)
• InChIKey: KHPSLUUBFMFIMP-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 171.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.34
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]piperidin-4-yl]pyridine-3-carboxamide?

The IUPAC name of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]piperidin-4-yl]pyridine-3-carboxamide (CID 175100782) is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]piperidin-4-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]piperidin-4-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]piperidin-4-yl]pyridine-3-carboxamide is CC1(C)C(NC(=O)c2ccc(C3CCN(CCCCOc4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)nc2)C(C)(C)C1Oc1ccc(C#N)c(Cl)c1.

What is the InChIKey of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]piperidin-4-yl]pyridine-3-carboxamide?

The InChIKey is KHPSLUUBFMFIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H47ClN6O7/c1-42(2)40(43(3,4)41(42)57-29-9-7-26(23-45)32(44)22-29)48-36(52)27-8-12-33(46-24-27)25-15-18-49(19-16-25)17-5-6-20-56-28-10-11-30-31(21-28)39(55)50(38(30)54)34-13-14-35(51)47-37(34)53/h7-12,21-22,24-25,34,40-41H,5-6,13-20H2,1-4H3,(H,48,52)(H,47,51,53).

What are the key properties of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]piperidin-4-yl]pyridine-3-carboxamide?

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 795.34 g/mol, XLogP of 5.66, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[1-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxybutyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 175100782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).