N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[5-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]phenoxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide

C43H52ClN7O6 — CID 135262281

IUPACN-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[5-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]phenoxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(OCCCCCN2CCN(c3ccc(C(=O)NC4C(C)(C)C(Oc5ccc(C#N)c(Cl)c5)C4(C)C)cn3)CC2)cc1)C1CCC(=O)NC1=O
InChIInChI=1S/C43H52ClN7O6/c1-42(2)40(43(3,4)41(42)57-32-15-11-29(26-45)33(44)25-32)48-37(53)30-12-17-35(46-27-30)51-22-20-50(21-23-51)19-7-6-8-24-56-31-13-9-28(10-14-31)39(55)49(5)34-16-18-36(52)47-38(34)54/h9-15,17,25,27,34,40-41H,6-8,16,18-24H2,1-5H3,(H,48,53)(H,47,52,54)
InChIKeySYUJWNTYQJFWLX-UHFFFAOYSA-N
MW798.38 g/mol
LogP5.47
Rot. Bonds14

About N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[5-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]phenoxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[5-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]phenoxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 135262281) has the molecular formula C43H52ClN7O6 and a molecular weight of 798.38 g/mol. Its IUPAC name is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[5-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]phenoxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[5-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]phenoxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID135262281
Molecular FormulaC43H52ClN7O6
Molecular Weight798.38 g/mol
Exact Mass797.37
IUPAC NameN-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[5-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]phenoxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCN(C(=O)c1ccc(OCCCCCN2CCN(c3ccc(C(=O)NC4C(C)(C)C(Oc5ccc(C#N)c(Cl)c5)C4(C)C)cn3)CC2)cc1)C1CCC(=O)NC1=O
InChIInChI=1S/C43H52ClN7O6/c1-42(2)40(43(3,4)41(42)57-32-15-11-29(26-45)33(44)25-32)48-37(53)30-12-17-35(46-27-30)51-22-20-50(21-23-51)19-7-6-8-24-56-31-13-9-28(10-14-31)39(55)49(5)34-16-18-36(52)47-38(34)54/h9-15,17,25,27,34,40-41H,6-8,16,18-24H2,1-5H3,(H,48,53)(H,47,52,54)
InChIKeySYUJWNTYQJFWLX-UHFFFAOYSA-N
XLogP5.47
TPSA157.20 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.38
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[5-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]phenoxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[5-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]phenoxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[5-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]phenoxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide (CID 135262281) is N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[5-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]phenoxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[5-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]phenoxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[5-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]phenoxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide is CN(C(=O)c1ccc(OCCCCCN2CCN(c3ccc(C(=O)NC4C(C)(C)C(Oc5ccc(C#N)c(Cl)c5)C4(C)C)cn3)CC2)cc1)C1CCC(=O)NC1=O.
What is the InChIKey of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[5-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]phenoxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is SYUJWNTYQJFWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H52ClN7O6/c1-42(2)40(43(3,4)41(42)57-32-15-11-29(26-45)33(44)25-32)48-37(53)30-12-17-35(46-27-30)51-22-20-50(21-23-51)19-7-6-8-24-56-31-13-9-28(10-14-31)39(55)49(5)34-16-18-36(52)47-38(34)54/h9-15,17,25,27,34,40-41H,6-8,16,18-24H2,1-5H3,(H,48,53)(H,47,52,54).
What are the key properties of N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[5-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]phenoxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide?
N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-6-[4-[5-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]phenoxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 798.38 g/mol, XLogP of 5.47, 14 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-[4-[5-[4-[(2,6-dioxopiperidin-3-yl)-methylcarbamoyl]phenoxy]pentyl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 135262281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).