N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-5H-pyrrolo[2,3-b]pyridine-4-carboxamide

C21H17N5O4 — CID 156501754

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-5H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESO=C1CCC(N2Cc3ccc(NC(=O)C4=C5C=CN=C5N=CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C21H17N5O4/c27-17-4-3-16(20(29)25-17)26-10-11-1-2-12(9-15(11)21(26)30)24-19(28)14-6-8-23-18-13(14)5-7-22-18/h1-2,5,7-9,16H,3-4,6,10H2,(H,24,28)(H,25,27,29)
InChIKeyDGDYEFFUOQROPS-UHFFFAOYSA-N
MW403.40 g/mol
LogP1.08
Rot. Bonds3

About N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-5H-pyrrolo[2,3-b]pyridine-4-carboxamide

N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-5H-pyrrolo[2,3-b]pyridine-4-carboxamide (PubChem CID 156501754) has the molecular formula C21H17N5O4 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-5H-pyrrolo[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-5H-pyrrolo[2,3-b]pyridine-4-carboxamide
PubChem CID156501754
Molecular FormulaC21H17N5O4
Molecular Weight403.40 g/mol
Exact Mass403.13
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-5H-pyrrolo[2,3-b]pyridine-4-carboxamide
SMILESO=C1CCC(N2Cc3ccc(NC(=O)C4=C5C=CN=C5N=CC4)cc3C2=O)C(=O)N1
InChIInChI=1S/C21H17N5O4/c27-17-4-3-16(20(29)25-17)26-10-11-1-2-12(9-15(11)21(26)30)24-19(28)14-6-8-23-18-13(14)5-7-22-18/h1-2,5,7-9,16H,3-4,6,10H2,(H,24,28)(H,25,27,29)
InChIKeyDGDYEFFUOQROPS-UHFFFAOYSA-N
XLogP1.08
TPSA120.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 166410779
N,N'-bis[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanediamide
CID 166027073
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 166425804
2-(dimethylamino)-N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]acetamide
CID 156502027
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]acetamide
CID 166425817
2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]propanoyl iodide
CID 156528080
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carboxamide
CID 67023236
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 176614145
2-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]amino]-N-methylacetamide
CID 166074434
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-7-hydroxy-1H-indole-2-carboxamide
CID 177187886
3-[3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carbonyl]amino]phenyl]propanoic acid
CID 166426036
3-[3-oxo-5-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156502172

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-5H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-5H-pyrrolo[2,3-b]pyridine-4-carboxamide (CID 156501754) is N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-5H-pyrrolo[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-5H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-5H-pyrrolo[2,3-b]pyridine-4-carboxamide is O=C1CCC(N2Cc3ccc(NC(=O)C4=C5C=CN=C5N=CC4)cc3C2=O)C(=O)N1.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-5H-pyrrolo[2,3-b]pyridine-4-carboxamide?
The InChIKey is DGDYEFFUOQROPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O4/c27-17-4-3-16(20(29)25-17)26-10-11-1-2-12(9-15(11)21(26)30)24-19(28)14-6-8-23-18-13(14)5-7-22-18/h1-2,5,7-9,16H,3-4,6,10H2,(H,24,28)(H,25,27,29).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-5H-pyrrolo[2,3-b]pyridine-4-carboxamide?
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-5H-pyrrolo[2,3-b]pyridine-4-carboxamide has a molecular weight of 403.40 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-5H-pyrrolo[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 156501754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).