N-(5-bromo-2-pyridinyl)-2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide

C22H16BrN3O4 — CID 17342266

IUPACN-(5-bromo-2-pyridinyl)-2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCOc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(Br)cn3)cc2C1=O
InChIInChI=1S/C22H16BrN3O4/c1-2-30-18-6-4-3-5-17(18)26-21(28)15-9-7-13(11-16(15)22(26)29)20(27)25-19-10-8-14(23)12-24-19/h3-12H,2H2,1H3,(H,24,25,27)
InChIKeyMAXCGVYCWKUQSR-UHFFFAOYSA-N
MW466.29 g/mol
LogP4.30
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide

N-(5-bromo-2-pyridinyl)-2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 17342266) has the molecular formula C22H16BrN3O4 and a molecular weight of 466.29 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID17342266
Molecular FormulaC22H16BrN3O4
Molecular Weight466.29 g/mol
Exact Mass465.03
IUPAC NameN-(5-bromo-2-pyridinyl)-2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCCOc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(Br)cn3)cc2C1=O
InChIInChI=1S/C22H16BrN3O4/c1-2-30-18-6-4-3-5-17(18)26-21(28)15-9-7-13(11-16(15)22(26)29)20(27)25-19-10-8-14(23)12-24-19/h3-12H,2H2,1H3,(H,24,25,27)
InChIKeyMAXCGVYCWKUQSR-UHFFFAOYSA-N
XLogP4.30
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.29
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 29260316
2-(2-ethoxyphenyl)-1,3-dioxo-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 3405367
N-(5-bromo-2-pyridinyl)-3-chloro-4-ethoxybenzamide
CID 5346053
N-(5-bromo-2-pyridinyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 29260312
1,3-dioxo-2-(2-phenylphenyl)-N-pyridin-2-ylisoindole-5-carboxamide
CID 1026006
N-(4-hydroxyphenyl)-2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 1271218
3-bromo-N-(5-bromo-2-pyridinyl)-4-methoxybenzamide
CID 23935414
[3-[[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]phenyl] propanoate
CID 17342053
methyl 3-[[2-(2-methoxyphenyl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoate
CID 4114720
6-[(2-ethoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 61319184
3,4-diethoxy-N-pyridin-2-ylbenzamide
CID 4520194
N-(5-bromo-2-pyridinyl)-4-hydroxy-3-methylbenzamide
CID 103956611

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide (CID 17342266) is N-(5-bromo-2-pyridinyl)-2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide is CCOc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ccc(Br)cn3)cc2C1=O.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is MAXCGVYCWKUQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3O4/c1-2-30-18-6-4-3-5-17(18)26-21(28)15-9-7-13(11-16(15)22(26)29)20(27)25-19-10-8-14(23)12-24-19/h3-12H,2H2,1H3,(H,24,25,27).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide?
N-(5-bromo-2-pyridinyl)-2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 466.29 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 17342266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).