1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide

C23H19N3O3 — CID 7392853

IUPAC1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide
SMILESC[C@@H](c1ccccc1)N1C(=O)c2ccc(C(=O)NCc3cccnc3)cc2C1=O
InChIInChI=1S/C23H19N3O3/c1-15(17-7-3-2-4-8-17)26-22(28)19-10-9-18(12-20(19)23(26)29)21(27)25-14-16-6-5-11-24-13-16/h2-13,15H,14H2,1H3,(H,25,27)/t15-/m0/s1
InChIKeyWDQWVKYAZOORNH-HNNXBMFYSA-N
MW385.42 g/mol
LogP3.37
Rot. Bonds5

About 1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide

1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide (PubChem CID 7392853) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide.

Molecular Properties

Compound Name1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide
PubChem CID7392853
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide
SMILESC[C@@H](c1ccccc1)N1C(=O)c2ccc(C(=O)NCc3cccnc3)cc2C1=O
InChIInChI=1S/C23H19N3O3/c1-15(17-7-3-2-4-8-17)26-22(28)19-10-9-18(12-20(19)23(26)29)21(27)25-14-16-6-5-11-24-13-16/h2-13,15H,14H2,1H3,(H,25,27)/t15-/m0/s1
InChIKeyWDQWVKYAZOORNH-HNNXBMFYSA-N
XLogP3.37
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.37
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-benzyl-1,3-dioxo-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 1026487
1,3-dioxo-2-propan-2-yl-N-[[3-(pyridine-3-carbonylamino)phenyl]methyl]isoindole-5-carboxamide
CID 108926281
1,3-dioxo-2-propan-2-yl-N-[4-[(pyridine-3-carbonylamino)methyl]phenyl]isoindole-5-carboxamide
CID 108925509
2-(2-ethoxyphenyl)-1,3-dioxo-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 3405367
1,3-dioxo-2-[(1R)-1-phenylethyl]isoindole-5-carboxylic acid
CID 887935
4-chloro-3-(4-phenylphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 58791127
N-benzyl-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 19132955
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxamide
CID 17296231
N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2-(1-phenylethyl)isoindole-5-carboxamide
CID 2995585
1,3-dioxo-N-phenyl-2-(pyridin-3-ylmethyl)isoindole-5-carboxamide
CID 2993985
1,3,3-trimethyl-2-oxo-N-(pyridin-3-ylmethyl)indole-5-carboxamide
CID 110764380
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921

Frequently Asked Questions

What is the IUPAC name of 1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
The IUPAC name of 1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide (CID 7392853) is 1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide.
What is the SMILES notation for 1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
The canonical SMILES for 1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide is C[C@@H](c1ccccc1)N1C(=O)c2ccc(C(=O)NCc3cccnc3)cc2C1=O.
What is the InChIKey of 1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
The InChIKey is WDQWVKYAZOORNH-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-15(17-7-3-2-4-8-17)26-22(28)19-10-9-18(12-20(19)23(26)29)21(27)25-14-16-6-5-11-24-13-16/h2-13,15H,14H2,1H3,(H,25,27)/t15-/m0/s1.
What are the key properties of 1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide?
1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxo-2-[(1S)-1-phenylethyl]-N-(pyridin-3-ylmethyl)isoindole-5-carboxamide is sourced from PubChem (CID 7392853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).