N-cyclohexyl-6-[4-[[4-[2-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-oxoethyl]-4-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide

C34H47N9O4 — CID 167164662

IUPACN-cyclohexyl-6-[4-[[4-[2-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-oxoethyl]-4-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide
SMILESCN(C(=O)Cc1cc(N2CCN(CC3CCN(c4ccc(C(=O)NC5CCCCC5)nn4)CC3)CC2)ccn1)C1CCC(=O)NC1=O
InChIInChI=1S/C34H47N9O4/c1-40(29-8-10-31(44)37-34(29)47)32(45)22-26-21-27(11-14-35-26)42-19-17-41(18-20-42)23-24-12-15-43(16-13-24)30-9-7-28(38-39-30)33(46)36-25-5-3-2-4-6-25/h7,9,11,14,21,24-25,29H,2-6,8,10,12-13,15-20,22-23H2,1H3,(H,36,46)(H,37,44,47)
InChIKeyCFQSXQHLVPMBMQ-UHFFFAOYSA-N
MW645.81 g/mol
LogP1.78
Rot. Bonds9

About N-cyclohexyl-6-[4-[[4-[2-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-oxoethyl]-4-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide

N-cyclohexyl-6-[4-[[4-[2-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-oxoethyl]-4-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide (PubChem CID 167164662) has the molecular formula C34H47N9O4 and a molecular weight of 645.81 g/mol. Its IUPAC name is N-cyclohexyl-6-[4-[[4-[2-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-oxoethyl]-4-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-[4-[[4-[2-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-oxoethyl]-4-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide
PubChem CID167164662
Molecular FormulaC34H47N9O4
Molecular Weight645.81 g/mol
Exact Mass645.38
IUPAC NameN-cyclohexyl-6-[4-[[4-[2-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-oxoethyl]-4-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide
SMILESCN(C(=O)Cc1cc(N2CCN(CC3CCN(c4ccc(C(=O)NC5CCCCC5)nn4)CC3)CC2)ccn1)C1CCC(=O)NC1=O
InChIInChI=1S/C34H47N9O4/c1-40(29-8-10-31(44)37-34(29)47)32(45)22-26-21-27(11-14-35-26)42-19-17-41(18-20-42)23-24-12-15-43(16-13-24)30-9-7-28(38-39-30)33(46)36-25-5-3-2-4-6-25/h7,9,11,14,21,24-25,29H,2-6,8,10,12-13,15-20,22-23H2,1H3,(H,36,46)(H,37,44,47)
InChIKeyCFQSXQHLVPMBMQ-UHFFFAOYSA-N
XLogP1.78
TPSA143.97 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500645.81
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze N-cyclohexyl-6-[4-[[4-[2-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-oxoethyl]-4-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[4-[[4-[2-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-oxoethyl]-4-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-[4-[[4-[2-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-oxoethyl]-4-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide (CID 167164662) is N-cyclohexyl-6-[4-[[4-[2-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-oxoethyl]-4-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-[4-[[4-[2-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-oxoethyl]-4-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-[4-[[4-[2-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-oxoethyl]-4-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide is CN(C(=O)Cc1cc(N2CCN(CC3CCN(c4ccc(C(=O)NC5CCCCC5)nn4)CC3)CC2)ccn1)C1CCC(=O)NC1=O.
What is the InChIKey of N-cyclohexyl-6-[4-[[4-[2-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-oxoethyl]-4-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide?
The InChIKey is CFQSXQHLVPMBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47N9O4/c1-40(29-8-10-31(44)37-34(29)47)32(45)22-26-21-27(11-14-35-26)42-19-17-41(18-20-42)23-24-12-15-43(16-13-24)30-9-7-28(38-39-30)33(46)36-25-5-3-2-4-6-25/h7,9,11,14,21,24-25,29H,2-6,8,10,12-13,15-20,22-23H2,1H3,(H,36,46)(H,37,44,47).
What are the key properties of N-cyclohexyl-6-[4-[[4-[2-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-oxoethyl]-4-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide?
N-cyclohexyl-6-[4-[[4-[2-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-oxoethyl]-4-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide has a molecular weight of 645.81 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[4-[[4-[2-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-2-oxoethyl]-4-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 167164662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).