N-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-hydroxynaphthalene-2-carboxamide

C20H16N2O4 — CID 124775731

IUPACN-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C1)c1cc2ccccc2cc1O
InChIInChI=1S/C20H16N2O4/c23-15-9-11-4-2-1-3-10(11)8-14(15)18(24)21-22-19(25)16-12-5-6-13(7-12)17(16)20(22)26/h1-6,8-9,12-13,16-17,23H,7H2,(H,21,24)/t12-,13-,16+,17+/m0/s1
InChIKeyINUZZPZUZVKGCF-WRFANHODSA-N
MW348.36 g/mol
LogP2.00
Rot. Bonds2

About N-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-hydroxynaphthalene-2-carboxamide

N-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-hydroxynaphthalene-2-carboxamide (PubChem CID 124775731) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-hydroxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-hydroxynaphthalene-2-carboxamide
PubChem CID124775731
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC NameN-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-hydroxynaphthalene-2-carboxamide
SMILESO=C(NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C1)c1cc2ccccc2cc1O
InChIInChI=1S/C20H16N2O4/c23-15-9-11-4-2-1-3-10(11)8-14(15)18(24)21-22-19(25)16-12-5-6-13(7-12)17(16)20(22)26/h1-6,8-9,12-13,16-17,23H,7H2,(H,21,24)/t12-,13-,16+,17+/m0/s1
InChIKeyINUZZPZUZVKGCF-WRFANHODSA-N
XLogP2.00
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-hydroxynaphthalene-2-carboxamide with MolForge

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Related Compounds

3-Hydroxy-2-naphthoic acid hydrazide
CID 72699
3-hydroxy-N'-(2-hydroxybenzoyl)naphthalene-2-carbohydrazide
CID 466855
3-hydroxy-N'-(4-methylbenzoyl)-2-naphthohydrazide
CID 877479
3-Hydroxy-N'-(3-hydroxy-2-naphthoyl)-2-naphthohydrazide
CID 496893
N'-(3-cyclopentylpropanoyl)-3-hydroxynaphthalene-2-carbohydrazide
CID 4786896
N-(1,3-dioxoisoindol-2-yl)-2,4-bis(4-fluorophenyl)-6-hydroxybenzamide
CID 139084495
3-hydroxy-N'-phenylnaphthalene-2-carbohydrazide
CID 14528946
N'-(cyclohexanecarbonyl)-3-hydroxynaphthalene-2-carbohydrazide
CID 17417534
3-hydroxy-N'-(3-phenylprop-2-enoyl)naphthalene-2-carbohydrazide
CID 583133
3-Hydroxy-N'-(phenylacetyl)naphthalene-2-carbohydrazide
CID 27227626
N-acetyl-2-hydroxy-3-naphthoic acid hydrazide
CID 129690680
N-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-hydroxynaphthalene-2-carboxamide
CID 3130423

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-hydroxynaphthalene-2-carboxamide?
The IUPAC name of N-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-hydroxynaphthalene-2-carboxamide (CID 124775731) is N-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-hydroxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-hydroxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-hydroxynaphthalene-2-carboxamide is O=C(NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C1)c1cc2ccccc2cc1O.
What is the InChIKey of N-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-hydroxynaphthalene-2-carboxamide?
The InChIKey is INUZZPZUZVKGCF-WRFANHODSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-15-9-11-4-2-1-3-10(11)8-14(15)18(24)21-22-19(25)16-12-5-6-13(7-12)17(16)20(22)26/h1-6,8-9,12-13,16-17,23H,7H2,(H,21,24)/t12-,13-,16+,17+/m0/s1.
What are the key properties of N-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-hydroxynaphthalene-2-carboxamide?
N-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-hydroxynaphthalene-2-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-hydroxynaphthalene-2-carboxamide is sourced from PubChem (CID 124775731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).