N-(2-hydroxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide

C22H16N4O6 — CID 108732474

IUPACN-(2-hydroxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC(=O)N(Cc1ccccn1)c1ccccc1O
InChIInChI=1S/C22H16N4O6/c27-19-7-2-1-6-18(19)24(12-14-5-3-4-10-23-14)20(28)13-25-21(29)16-9-8-15(26(31)32)11-17(16)22(25)30/h1-11,27H,12-13H2
InChIKeyBUUOOOWSSDWKGI-UHFFFAOYSA-N
MW432.39 g/mol
LogP2.52
Rot. Bonds6

About N-(2-hydroxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide

N-(2-hydroxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 108732474) has the molecular formula C22H16N4O6 and a molecular weight of 432.39 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID108732474
Molecular FormulaC22H16N4O6
Molecular Weight432.39 g/mol
Exact Mass432.11
IUPAC NameN-(2-hydroxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC(=O)N(Cc1ccccn1)c1ccccc1O
InChIInChI=1S/C22H16N4O6/c27-19-7-2-1-6-18(19)24(12-14-5-3-4-10-23-14)20(28)13-25-21(29)16-9-8-15(26(31)32)11-17(16)22(25)30/h1-11,27H,12-13H2
InChIKeyBUUOOOWSSDWKGI-UHFFFAOYSA-N
XLogP2.52
TPSA133.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(5-nitro-1,3-dioxoisoindol-2-yl)acetate
CID 3712827
N-(2-hydroxyphenyl)-2-methyl-3,5-dinitro-N-(pyridin-2-ylmethyl)benzamide
CID 108732482
2-(1,3-dioxoisoindol-2-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 87041147
N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)acetamide
CID 1177159
4-chloro-N-(2-hydroxyphenyl)-3-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 108732452
2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(2-phenoxyethyl)acetamide
CID 8520446
N-(2-ethoxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 1300340
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 9490950
N-(2-methoxy-4-nitrophenyl)-1,3-dioxo-2-(pyridin-2-ylmethyl)isoindole-5-carboxamide
CID 108767410
N-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 75504350
N-(2-hydroxyphenyl)-2,2-diphenyl-N-(pyridin-2-ylmethyl)acetamide
CID 108755915
N-benzhydryl-2-(5-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 1342103

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 108732474) is N-(2-hydroxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide is O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC(=O)N(Cc1ccccn1)c1ccccc1O.
What is the InChIKey of N-(2-hydroxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is BUUOOOWSSDWKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O6/c27-19-7-2-1-6-18(19)24(12-14-5-3-4-10-23-14)20(28)13-25-21(29)16-9-8-15(26(31)32)11-17(16)22(25)30/h1-11,27H,12-13H2.
What are the key properties of N-(2-hydroxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide?
N-(2-hydroxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 432.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2-(5-nitro-1,3-dioxoisoindol-2-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 108732474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).