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

C25H27N5O5 — CID 164583896

IUPAC[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamate
SMILESC[C@@H]1CCCN1c1ccc(NC(=O)OCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)nc1
InChIInChI=1S/C25H27N5O5/c1-15-3-2-10-29(15)18-6-8-21(26-12-18)27-25(34)35-14-16-4-5-17-13-30(24(33)19(17)11-16)20-7-9-22(31)28-23(20)32/h4-6,8,11-12,15,20H,2-3,7,9-10,13-14H2,1H3,(H,26,27,34)(H,28,31,32)/t15-,20?/m1/s1
InChIKeyVEBCNYUQLJQYQV-IWPPFLRJSA-N
MW477.52 g/mol
LogP2.58
Rot. Bonds5

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

[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamate (PubChem CID 164583896) has the molecular formula C25H27N5O5 and a molecular weight of 477.52 g/mol. Its IUPAC name is [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Name[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamate
PubChem CID164583896
Molecular FormulaC25H27N5O5
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC Name[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamate
SMILESC[C@@H]1CCCN1c1ccc(NC(=O)OCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)nc1
InChIInChI=1S/C25H27N5O5/c1-15-3-2-10-29(15)18-6-8-21(26-12-18)27-25(34)35-14-16-4-5-17-13-30(24(33)19(17)11-16)20-7-9-22(31)28-23(20)32/h4-6,8,11-12,15,20H,2-3,7,9-10,13-14H2,1H3,(H,26,27,34)(H,28,31,32)/t15-,20?/m1/s1
InChIKeyVEBCNYUQLJQYQV-IWPPFLRJSA-N
XLogP2.58
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,6-dioxopiperidin-3-yl)-3-hydroxy-1,3-dihydroisoindol-5-yl]methyl N-[5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamate
CID 177223344
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(4-piperidin-1-ylphenyl)carbamate
CID 177223271
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(2-piperidin-1-ylpyrimidin-5-yl)carbamate
CID 164584188
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(azetidin-1-yl)-3-pyridinyl]carbamate
CID 164583885
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(3,5-dimethylphenyl)carbamate
CID 164584178
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(4-methylphenyl)carbamate
CID 164584202
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamate
CID 164583970
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-pyridin-3-ylcarbamate
CID 166074247
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-iodoiodanuidylcarbamate
CID 166074298
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(6-phenyl-3-pyridinyl)carbamate
CID 164584253
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(1-bicyclo[1.1.1]pentanyl)carbamate
CID 164583864
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(5-methoxy-6-phenyl-3-pyridinyl)carbamate
CID 164584120

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamate?
The IUPAC name of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamate (CID 164583896) is [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamate.
What is the SMILES notation for [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamate?
The canonical SMILES for [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamate is C[C@@H]1CCCN1c1ccc(NC(=O)OCc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)nc1.
What is the InChIKey of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamate?
The InChIKey is VEBCNYUQLJQYQV-IWPPFLRJSA-N. The full InChI is InChI=1S/C25H27N5O5/c1-15-3-2-10-29(15)18-6-8-21(26-12-18)27-25(34)35-14-16-4-5-17-13-30(24(33)19(17)11-16)20-7-9-22(31)28-23(20)32/h4-6,8,11-12,15,20H,2-3,7,9-10,13-14H2,1H3,(H,26,27,34)(H,28,31,32)/t15-,20?/m1/s1.
What are the key properties of [2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamate?
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-[5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamate has a molecular weight of 477.52 g/mol, XLogP of 2.58, 5 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-[5-[(2R)-2-methylpyrrolidin-1-yl]-2-pyridinyl]carbamate is sourced from PubChem (CID 164583896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).