[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methoxyphenyl)-3-pyridinyl]carbamate

C27H24N4O6 — CID 164584180

IUPAC[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methoxyphenyl)-3-pyridinyl]carbamate
SMILESCOc1ccccc1-c1ccc(NC(=O)OCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)cn1
InChIInChI=1S/C27H24N4O6/c1-36-23-5-3-2-4-19(23)21-9-8-18(13-28-21)29-27(35)37-15-16-6-7-17-14-31(26(34)20(17)12-16)22-10-11-24(32)30-25(22)33/h2-9,12-13,22H,10-11,14-15H2,1H3,(H,29,35)(H,30,32,33)
InChIKeyIKBYNXPLYAJLSF-UHFFFAOYSA-N
MW500.51 g/mol
LogP3.27
Rot. Bonds6

About [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methoxyphenyl)-3-pyridinyl]carbamate

[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methoxyphenyl)-3-pyridinyl]carbamate (PubChem CID 164584180) has the molecular formula C27H24N4O6 and a molecular weight of 500.51 g/mol. Its IUPAC name is [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methoxyphenyl)-3-pyridinyl]carbamate.

Molecular Properties

Compound Name[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methoxyphenyl)-3-pyridinyl]carbamate
PubChem CID164584180
Molecular FormulaC27H24N4O6
Molecular Weight500.51 g/mol
Exact Mass500.17
IUPAC Name[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methoxyphenyl)-3-pyridinyl]carbamate
SMILESCOc1ccccc1-c1ccc(NC(=O)OCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)cn1
InChIInChI=1S/C27H24N4O6/c1-36-23-5-3-2-4-19(23)21-9-8-18(13-28-21)29-27(35)37-15-16-6-7-17-14-31(26(34)20(17)12-16)22-10-11-24(32)30-25(22)33/h2-9,12-13,22H,10-11,14-15H2,1H3,(H,29,35)(H,30,32,33)
InChIKeyIKBYNXPLYAJLSF-UHFFFAOYSA-N
XLogP3.27
TPSA126.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.51
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methoxyphenyl)-3-pyridinyl]carbamate?
The IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methoxyphenyl)-3-pyridinyl]carbamate (CID 164584180) is [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methoxyphenyl)-3-pyridinyl]carbamate.
What is the SMILES notation for [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methoxyphenyl)-3-pyridinyl]carbamate?
The canonical SMILES for [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methoxyphenyl)-3-pyridinyl]carbamate is COc1ccccc1-c1ccc(NC(=O)OCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)cn1.
What is the InChIKey of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methoxyphenyl)-3-pyridinyl]carbamate?
The InChIKey is IKBYNXPLYAJLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O6/c1-36-23-5-3-2-4-19(23)21-9-8-18(13-28-21)29-27(35)37-15-16-6-7-17-14-31(26(34)20(17)12-16)22-10-11-24(32)30-25(22)33/h2-9,12-13,22H,10-11,14-15H2,1H3,(H,29,35)(H,30,32,33).
What are the key properties of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methoxyphenyl)-3-pyridinyl]carbamate?
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methoxyphenyl)-3-pyridinyl]carbamate has a molecular weight of 500.51 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(2-methoxyphenyl)-3-pyridinyl]carbamate is sourced from PubChem (CID 164584180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).