2-ethoxy-N-[2-(3-hydroxy-3-methylbutan-2-yl)-3-oxo-1H-isoindol-4-yl]pyridine-3-carboxamide

C21H25N3O4 — CID 163382235

IUPAC2-ethoxy-N-[2-(3-hydroxy-3-methylbutan-2-yl)-3-oxo-1H-isoindol-4-yl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cccc2c1C(=O)N(C(C)C(C)(C)O)C2
InChIInChI=1S/C21H25N3O4/c1-5-28-19-15(9-7-11-22-19)18(25)23-16-10-6-8-14-12-24(20(26)17(14)16)13(2)21(3,4)27/h6-11,13,27H,5,12H2,1-4H3,(H,23,25)
InChIKeyWCODTKHRNMKTTG-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.85
Rot. Bonds6

About 2-ethoxy-N-[2-(3-hydroxy-3-methylbutan-2-yl)-3-oxo-1H-isoindol-4-yl]pyridine-3-carboxamide

2-ethoxy-N-[2-(3-hydroxy-3-methylbutan-2-yl)-3-oxo-1H-isoindol-4-yl]pyridine-3-carboxamide (PubChem CID 163382235) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(3-hydroxy-3-methylbutan-2-yl)-3-oxo-1H-isoindol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(3-hydroxy-3-methylbutan-2-yl)-3-oxo-1H-isoindol-4-yl]pyridine-3-carboxamide
PubChem CID163382235
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-ethoxy-N-[2-(3-hydroxy-3-methylbutan-2-yl)-3-oxo-1H-isoindol-4-yl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cccc2c1C(=O)N(C(C)C(C)(C)O)C2
InChIInChI=1S/C21H25N3O4/c1-5-28-19-15(9-7-11-22-19)18(25)23-16-10-6-8-14-12-24(20(26)17(14)16)13(2)21(3,4)27/h6-11,13,27H,5,12H2,1-4H3,(H,23,25)
InChIKeyWCODTKHRNMKTTG-UHFFFAOYSA-N
XLogP2.85
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(3-hydroxy-3-methylbutan-2-yl)-3-oxo-1H-isoindol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[2-(3-hydroxy-3-methylbutan-2-yl)-3-oxo-1H-isoindol-4-yl]pyridine-3-carboxamide (CID 163382235) is 2-ethoxy-N-[2-(3-hydroxy-3-methylbutan-2-yl)-3-oxo-1H-isoindol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[2-(3-hydroxy-3-methylbutan-2-yl)-3-oxo-1H-isoindol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[2-(3-hydroxy-3-methylbutan-2-yl)-3-oxo-1H-isoindol-4-yl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1cccc2c1C(=O)N(C(C)C(C)(C)O)C2.
What is the InChIKey of 2-ethoxy-N-[2-(3-hydroxy-3-methylbutan-2-yl)-3-oxo-1H-isoindol-4-yl]pyridine-3-carboxamide?
The InChIKey is WCODTKHRNMKTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-5-28-19-15(9-7-11-22-19)18(25)23-16-10-6-8-14-12-24(20(26)17(14)16)13(2)21(3,4)27/h6-11,13,27H,5,12H2,1-4H3,(H,23,25).
What are the key properties of 2-ethoxy-N-[2-(3-hydroxy-3-methylbutan-2-yl)-3-oxo-1H-isoindol-4-yl]pyridine-3-carboxamide?
2-ethoxy-N-[2-(3-hydroxy-3-methylbutan-2-yl)-3-oxo-1H-isoindol-4-yl]pyridine-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(3-hydroxy-3-methylbutan-2-yl)-3-oxo-1H-isoindol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 163382235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).