2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[4-(oxolan-3-ylmethyl)pyrimidin-2-yl]-3H-isoindole-5-carboxamide

C23H23N5O5 — CID 176971937

IUPAC2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[4-(oxolan-3-ylmethyl)pyrimidin-2-yl]-3H-isoindole-5-carboxamide
SMILESO=C1CCC(N2Cc3cc(C(=O)Nc4nccc(CC5CCOC5)n4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C23H23N5O5/c29-19-4-3-18(21(31)26-19)28-11-15-10-14(1-2-17(15)22(28)32)20(30)27-23-24-7-5-16(25-23)9-13-6-8-33-12-13/h1-2,5,7,10,13,18H,3-4,6,8-9,11-12H2,(H,26,29,31)(H,24,25,27,30)
InChIKeyPJJGLYXPVUSFPA-UHFFFAOYSA-N
MW449.47 g/mol
LogP1.07
Rot. Bonds5

About 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[4-(oxolan-3-ylmethyl)pyrimidin-2-yl]-3H-isoindole-5-carboxamide

2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[4-(oxolan-3-ylmethyl)pyrimidin-2-yl]-3H-isoindole-5-carboxamide (PubChem CID 176971937) has the molecular formula C23H23N5O5 and a molecular weight of 449.47 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[4-(oxolan-3-ylmethyl)pyrimidin-2-yl]-3H-isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[4-(oxolan-3-ylmethyl)pyrimidin-2-yl]-3H-isoindole-5-carboxamide
PubChem CID176971937
Molecular FormulaC23H23N5O5
Molecular Weight449.47 g/mol
Exact Mass449.17
IUPAC Name2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[4-(oxolan-3-ylmethyl)pyrimidin-2-yl]-3H-isoindole-5-carboxamide
SMILESO=C1CCC(N2Cc3cc(C(=O)Nc4nccc(CC5CCOC5)n4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C23H23N5O5/c29-19-4-3-18(21(31)26-19)28-11-15-10-14(1-2-17(15)22(28)32)20(30)27-23-24-7-5-16(25-23)9-13-6-8-33-12-13/h1-2,5,7,10,13,18H,3-4,6,8-9,11-12H2,(H,26,29,31)(H,24,25,27,30)
InChIKeyPJJGLYXPVUSFPA-UHFFFAOYSA-N
XLogP1.07
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 51.07
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

N-[4,6-di(cyclobutyloxy)pyrimidin-2-yl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 176972033
3-[6-[4-(oxan-4-ylmethyl)triazol-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167976924
N-(2,3-dihydro-1H-indol-6-yl)-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide;hydrochloride
CID 166425888
2-(2,6-dioxopiperidin-3-yl)-N-(3-methylbutan-2-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338775
4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]butanoic acid
CID 166425977
N-[(3-aminophenyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 166425852
3-[6-(4-chlorobenzoyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177251278
5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]amino]pentanoic acid
CID 166425957
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-methoxynaphthalene-2-carboxamide
CID 166819388
ethyl 4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carbonyl]benzoate
CID 177251306
N-[(S)-cyclodecyl(cyclononyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 167231206
3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[4-(oxolan-3-ylmethyl)pyrimidin-2-yl]-3H-isoindole-5-carboxamide?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[4-(oxolan-3-ylmethyl)pyrimidin-2-yl]-3H-isoindole-5-carboxamide (CID 176971937) is 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[4-(oxolan-3-ylmethyl)pyrimidin-2-yl]-3H-isoindole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[4-(oxolan-3-ylmethyl)pyrimidin-2-yl]-3H-isoindole-5-carboxamide?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[4-(oxolan-3-ylmethyl)pyrimidin-2-yl]-3H-isoindole-5-carboxamide is O=C1CCC(N2Cc3cc(C(=O)Nc4nccc(CC5CCOC5)n4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[4-(oxolan-3-ylmethyl)pyrimidin-2-yl]-3H-isoindole-5-carboxamide?
The InChIKey is PJJGLYXPVUSFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O5/c29-19-4-3-18(21(31)26-19)28-11-15-10-14(1-2-17(15)22(28)32)20(30)27-23-24-7-5-16(25-23)9-13-6-8-33-12-13/h1-2,5,7,10,13,18H,3-4,6,8-9,11-12H2,(H,26,29,31)(H,24,25,27,30).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[4-(oxolan-3-ylmethyl)pyrimidin-2-yl]-3H-isoindole-5-carboxamide?
2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[4-(oxolan-3-ylmethyl)pyrimidin-2-yl]-3H-isoindole-5-carboxamide has a molecular weight of 449.47 g/mol, XLogP of 1.07, 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)-1-oxo-N-[4-(oxolan-3-ylmethyl)pyrimidin-2-yl]-3H-isoindole-5-carboxamide is sourced from PubChem (CID 176971937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).