5-[5-[4-[5-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]pentoxy]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide

C41H50ClN9O6 — CID 146606322

About 5-[5-[4-[5-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]pentoxy]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide

5-[5-[4-[5-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]pentoxy]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide (PubChem CID 146606322) has the molecular formula C41H50ClN9O6 and a molecular weight of 800.36 g/mol. Its IUPAC name is 5-[5-[4-[5-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]pentoxy]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[4-[5-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]pentoxy]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide
• PubChem CID: 146606322
• Molecular Formula: C41H50ClN9O6
• Molecular Weight: 800.36 g/mol
• Exact Mass: 799.36
• IUPAC Name: 5-[5-[4-[5-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]pentoxy]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide
• SMILES: [H]/N=c1\ccc(OCCCCCN2CCN(c3ccc(C(=O)NC4C(C)(C)C(Oc5ccc(C#N)c(Cl)c5)C4(C)C)cn3)CC2)cn1C(=O)NC1CCC(=O)NC1=O
• InChI: InChI=1S/C41H50ClN9O6/c1-40(2)37(41(3,4)38(40)57-28-10-8-26(23-43)30(42)22-28)48-35(53)27-9-14-33(45-24-27)50-19-17-49(18-20-50)16-6-5-7-21-56-29-11-13-32(44)51(25-29)39(55)46-31-12-15-34(52)47-36(31)54/h8-11,13-14,22,24-25,31,37-38,44H,5-7,12,15-21H2,1-4H3,(H,46,55)(H,48,53)(H,47,52,54)/b44-32+
• InChIKey: GFXAAPVPEMBYGJ-CMXZEOLJSA-N
• XLogP: 4.23
• TPSA: 194.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	800.36
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

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 5-[5-[4-[5-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]pentoxy]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide?

The IUPAC name of 5-[5-[4-[5-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]pentoxy]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide (CID 146606322) is 5-[5-[4-[5-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]pentoxy]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide.

What is the SMILES notation for 5-[5-[4-[5-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]pentoxy]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide?

The canonical SMILES for 5-[5-[4-[5-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]pentoxy]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide is [H]/N=c1\ccc(OCCCCCN2CCN(c3ccc(C(=O)NC4C(C)(C)C(Oc5ccc(C#N)c(Cl)c5)C4(C)C)cn3)CC2)cn1C(=O)NC1CCC(=O)NC1=O.

What is the InChIKey of 5-[5-[4-[5-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]pentoxy]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide?

The InChIKey is GFXAAPVPEMBYGJ-CMXZEOLJSA-N. The full InChI is InChI=1S/C41H50ClN9O6/c1-40(2)37(41(3,4)38(40)57-28-10-8-26(23-43)30(42)22-28)48-35(53)27-9-14-33(45-24-27)50-19-17-49(18-20-50)16-6-5-7-21-56-29-11-13-32(44)51(25-29)39(55)46-31-12-15-34(52)47-36(31)54/h8-11,13-14,22,24-25,31,37-38,44H,5-7,12,15-21H2,1-4H3,(H,46,55)(H,48,53)(H,47,52,54)/b44-32+.

What are the key properties of 5-[5-[4-[5-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]pentoxy]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide?

5-[5-[4-[5-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]pentoxy]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide has a molecular weight of 800.36 g/mol, XLogP of 4.23, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[4-[5-[[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]carbamoyl]-2-pyridinyl]piperazin-1-yl]pentoxy]-N-(2,6-dioxopiperidin-3-yl)-2-iminopyridine-1-carboxamide is sourced from PubChem (CID 146606322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).