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

C21H15N3O3 — CID 2993985

IUPAC1,3-dioxo-N-phenyl-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O
InChIInChI=1S/C21H15N3O3/c25-19(23-16-6-2-1-3-7-16)15-8-9-17-18(11-15)21(27)24(20(17)26)13-14-5-4-10-22-12-14/h1-12H,13H2,(H,23,25)
InChIKeyXIBFLFDZOPIVNK-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.13
Rot. Bonds4

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

1,3-dioxo-N-phenyl-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide (PubChem CID 2993985) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 1,3-dioxo-N-phenyl-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide.

Molecular Properties

Compound Name1,3-dioxo-N-phenyl-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
PubChem CID2993985
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name1,3-dioxo-N-phenyl-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O
InChIInChI=1S/C21H15N3O3/c25-19(23-16-6-2-1-3-7-16)15-8-9-17-18(11-15)21(27)24(20(17)26)13-14-5-4-10-22-12-14/h1-12H,13H2,(H,23,25)
InChIKeyXIBFLFDZOPIVNK-UHFFFAOYSA-N
XLogP3.13
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.13
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
N-(3-ethenylphenyl)-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 2977744
N-benzyl-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 1026487
2-benzyl-N-(1-methylpyrazol-4-yl)-1,3-dioxoisoindole-5-carboxamide
CID 32604284
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
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
CID 2995396
N-(2-aminophenyl)-4-[[[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-5-yl]amino]methyl]benzamide
CID 58930493
2-benzyl-N-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
CID 35031539
2-benzyl-N-(3-methylsulfanylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 9403087
N-(2-benzyl-1,3-dioxoisoindol-5-yl)-4-hydroxybenzamide
CID 135358086

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxo-N-phenyl-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
The IUPAC name of 1,3-dioxo-N-phenyl-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide (CID 2993985) is 1,3-dioxo-N-phenyl-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide.
What is the SMILES notation for 1,3-dioxo-N-phenyl-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
The canonical SMILES for 1,3-dioxo-N-phenyl-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide is O=C(Nc1ccccc1)c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O.
What is the InChIKey of 1,3-dioxo-N-phenyl-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
The InChIKey is XIBFLFDZOPIVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-19(23-16-6-2-1-3-7-16)15-8-9-17-18(11-15)21(27)24(20(17)26)13-14-5-4-10-22-12-14/h1-12H,13H2,(H,23,25).
What are the key properties of 1,3-dioxo-N-phenyl-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
1,3-dioxo-N-phenyl-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide has a molecular weight of 357.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxo-N-phenyl-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide is sourced from PubChem (CID 2993985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).