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

C23H17N3O3 — CID 2977744

IUPACN-(3-ethenylphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
SMILESC=Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)c1
InChIInChI=1S/C23H17N3O3/c1-2-15-5-3-7-18(11-15)25-21(27)17-8-9-19-20(12-17)23(29)26(22(19)28)14-16-6-4-10-24-13-16/h2-13H,1,14H2,(H,25,27)
InChIKeyGZNBIDOHXUYVGN-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.77
Rot. Bonds5

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

N-(3-ethenylphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide (PubChem CID 2977744) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-(3-ethenylphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(3-ethenylphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
PubChem CID2977744
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC NameN-(3-ethenylphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
SMILESC=Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)c1
InChIInChI=1S/C23H17N3O3/c1-2-15-5-3-7-18(11-15)25-21(27)17-8-9-19-20(12-17)23(29)26(22(19)28)14-16-6-4-10-24-13-16/h2-13H,1,14H2,(H,25,27)
InChIKeyGZNBIDOHXUYVGN-UHFFFAOYSA-N
XLogP3.77
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxyphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 2185532
1,3-dioxo-N-phenyl-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 2993985
N-benzyl-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 1026487
2-methyl-1,3-dioxo-N-pyridin-3-ylisoindole-5-carboxamide
CID 973223
N-(4-methylphenyl)-1,3-dioxo-2-(pyridin-4-ylmethyl)isoindole-5-carboxamide
CID 2664713
N-(furan-2-ylmethyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 2204091
2-benzyl-N-(3-methylsulfanylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9403087
2-(furan-2-ylmethyl)-1,3-dioxo-N-[3-(pyridine-4-carbonylamino)phenyl]isoindole-5-carboxamide
CID 55610660
1,3-dioxo-2-propan-2-yl-N-[[3-(pyridine-3-carbonylamino)phenyl]methyl]isoindole-5-carboxamide
CID 108926281
N-(2-aminophenyl)-4-[[[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-5-yl]amino]methyl]benzamide
CID 58930493
2-benzyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
CID 32604284
4-[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-5-yl]sulfonylbenzoate
CID 5078255

Frequently Asked Questions

What is the IUPAC name of N-(3-ethenylphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
The IUPAC name of N-(3-ethenylphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide (CID 2977744) is N-(3-ethenylphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide.
What is the SMILES notation for N-(3-ethenylphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
The canonical SMILES for N-(3-ethenylphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide is C=Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)c1.
What is the InChIKey of N-(3-ethenylphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
The InChIKey is GZNBIDOHXUYVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c1-2-15-5-3-7-18(11-15)25-21(27)17-8-9-19-20(12-17)23(29)26(22(19)28)14-16-6-4-10-24-13-16/h2-13H,1,14H2,(H,25,27).
What are the key properties of N-(3-ethenylphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
N-(3-ethenylphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenylphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide is sourced from PubChem (CID 2977744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).