2-(2-ethoxyphenyl)-1,3-dioxo-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide

C23H19N3O4 — CID 3405367

IUPAC2-(2-ethoxyphenyl)-1,3-dioxo-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide
SMILESCCOc1ccccc1N1C(=O)c2ccc(C(=O)NCc3cccnc3)cc2C1=O
InChIInChI=1S/C23H19N3O4/c1-2-30-20-8-4-3-7-19(20)26-22(28)17-10-9-16(12-18(17)23(26)29)21(27)25-14-15-6-5-11-24-13-15/h3-13H,2,14H2,1H3,(H,25,27)
InChIKeyXFYYIIULTZVRSU-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.21
Rot. Bonds6

About 2-(2-ethoxyphenyl)-1,3-dioxo-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide

2-(2-ethoxyphenyl)-1,3-dioxo-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide (PubChem CID 3405367) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-1,3-dioxo-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-1,3-dioxo-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide
PubChem CID3405367
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name2-(2-ethoxyphenyl)-1,3-dioxo-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide
SMILESCCOc1ccccc1N1C(=O)c2ccc(C(=O)NCc3cccnc3)cc2C1=O
InChIInChI=1S/C23H19N3O4/c1-2-30-20-8-4-3-7-19(20)26-22(28)17-10-9-16(12-18(17)23(26)29)21(27)25-14-15-6-5-11-24-13-15/h3-13H,2,14H2,1H3,(H,25,27)
InChIKeyXFYYIIULTZVRSU-UHFFFAOYSA-N
XLogP3.21
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.21
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

3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 669602
N-benzyl-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 1026487
1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 7392853
N-(5-bromo-2-pyridinyl)-2-(2-ethoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 17342266
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
2-(2,5-dimethylphenyl)-N-[(3-ethoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 55784326
N-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide
CID 50831636
2-(4-ethoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 26659419
N-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7959601
N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 19132955
N-[(3,4-diethoxyphenyl)methyl]pyridine-3-carboxamide
CID 100629145
2-(4-ethoxyphenyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
CID 55587486

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-1,3-dioxo-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
The IUPAC name of 2-(2-ethoxyphenyl)-1,3-dioxo-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide (CID 3405367) is 2-(2-ethoxyphenyl)-1,3-dioxo-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide.
What is the SMILES notation for 2-(2-ethoxyphenyl)-1,3-dioxo-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
The canonical SMILES for 2-(2-ethoxyphenyl)-1,3-dioxo-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide is CCOc1ccccc1N1C(=O)c2ccc(C(=O)NCc3cccnc3)cc2C1=O.
What is the InChIKey of 2-(2-ethoxyphenyl)-1,3-dioxo-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
The InChIKey is XFYYIIULTZVRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-2-30-20-8-4-3-7-19(20)26-22(28)17-10-9-16(12-18(17)23(26)29)21(27)25-14-15-6-5-11-24-13-15/h3-13H,2,14H2,1H3,(H,25,27).
What are the key properties of 2-(2-ethoxyphenyl)-1,3-dioxo-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
2-(2-ethoxyphenyl)-1,3-dioxo-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide has a molecular weight of 401.42 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-1,3-dioxo-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide is sourced from PubChem (CID 3405367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).