2-(3,4-dimethylphenyl)-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide

C22H17N3O3 — CID 2834960

IUPAC2-(3,4-dimethylphenyl)-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide
SMILESCc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccn4)cc3C2=O)cc1C
InChIInChI=1S/C22H17N3O3/c1-13-6-8-16(11-14(13)2)25-21(27)17-9-7-15(12-18(17)22(25)28)20(26)24-19-5-3-4-10-23-19/h3-12H,1-2H3,(H,23,24,26)
InChIKeyPRPWXPJYYATKJD-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.75
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide

2-(3,4-dimethylphenyl)-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide (PubChem CID 2834960) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide
PubChem CID2834960
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name2-(3,4-dimethylphenyl)-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide
SMILESCc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccn4)cc3C2=O)cc1C
InChIInChI=1S/C22H17N3O3/c1-13-6-8-16(11-14(13)2)25-21(27)17-9-7-15(12-18(17)22(25)28)20(26)24-19-5-3-4-10-23-19/h3-12H,1-2H3,(H,23,24,26)
InChIKeyPRPWXPJYYATKJD-UHFFFAOYSA-N
XLogP3.75
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3,4-dimethylphenyl)-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide (CID 2834960) is 2-(3,4-dimethylphenyl)-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide is Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccccn4)cc3C2=O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide?
The InChIKey is PRPWXPJYYATKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-13-6-8-16(11-14(13)2)25-21(27)17-9-7-15(12-18(17)22(25)28)20(26)24-19-5-3-4-10-23-19/h3-12H,1-2H3,(H,23,24,26).
What are the key properties of 2-(3,4-dimethylphenyl)-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide?
2-(3,4-dimethylphenyl)-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide is sourced from PubChem (CID 2834960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).