N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-hydroxynaphthalene-2-carboxamide

C24H19N3O5 — CID 171088483

IUPACN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-hydroxynaphthalene-2-carboxamide
SMILESO=C1CCC(N2Cc3cc(NC(=O)c4ccc5cc(O)ccc5c4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C24H19N3O5/c28-18-5-3-13-9-15(2-1-14(13)11-18)22(30)25-17-4-6-19-16(10-17)12-27(24(19)32)20-7-8-21(29)26-23(20)31/h1-6,9-11,20,28H,7-8,12H2,(H,25,30)(H,26,29,31)
InChIKeyPIJSUKFVTTZUBA-UHFFFAOYSA-N
MW429.43 g/mol
LogP2.56
Rot. Bonds3

About N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-hydroxynaphthalene-2-carboxamide

N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-hydroxynaphthalene-2-carboxamide (PubChem CID 171088483) has the molecular formula C24H19N3O5 and a molecular weight of 429.43 g/mol. Its IUPAC name is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-hydroxynaphthalene-2-carboxamide
PubChem CID171088483
Molecular FormulaC24H19N3O5
Molecular Weight429.43 g/mol
Exact Mass429.13
IUPAC NameN-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-hydroxynaphthalene-2-carboxamide
SMILESO=C1CCC(N2Cc3cc(NC(=O)c4ccc5cc(O)ccc5c4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C24H19N3O5/c28-18-5-3-13-9-15(2-1-14(13)11-18)22(30)25-17-4-6-19-16(10-17)12-27(24(19)32)20-7-8-21(29)26-23(20)31/h1-6,9-11,20,28H,7-8,12H2,(H,25,30)(H,26,29,31)
InChIKeyPIJSUKFVTTZUBA-UHFFFAOYSA-N
XLogP2.56
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-hydroxynaphthalene-2-carboxamide (CID 171088483) is N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-hydroxynaphthalene-2-carboxamide is O=C1CCC(N2Cc3cc(NC(=O)c4ccc5cc(O)ccc5c4)ccc3C2=O)C(=O)N1.
What is the InChIKey of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-hydroxynaphthalene-2-carboxamide?
The InChIKey is PIJSUKFVTTZUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5/c28-18-5-3-13-9-15(2-1-14(13)11-18)22(30)25-17-4-6-19-16(10-17)12-27(24(19)32)20-7-8-21(29)26-23(20)31/h1-6,9-11,20,28H,7-8,12H2,(H,25,30)(H,26,29,31).
What are the key properties of N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-hydroxynaphthalene-2-carboxamide?
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-hydroxynaphthalene-2-carboxamide has a molecular weight of 429.43 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-6-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 171088483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).