2-cyclopropyl-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide

C17H13N3O3 — CID 29133038

IUPAC2-cyclopropyl-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide
SMILESO=C(Nc1ccccn1)c1ccc2c(c1)C(=O)N(C1CC1)C2=O
InChIInChI=1S/C17H13N3O3/c21-15(19-14-3-1-2-8-18-14)10-4-7-12-13(9-10)17(23)20(16(12)22)11-5-6-11/h1-4,7-9,11H,5-6H2,(H,18,19,21)
InChIKeyZBFAINJOLBNVGC-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.09
Rot. Bonds3

About 2-cyclopropyl-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide

2-cyclopropyl-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide (PubChem CID 29133038) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-cyclopropyl-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide
PubChem CID29133038
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC Name2-cyclopropyl-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide
SMILESO=C(Nc1ccccn1)c1ccc2c(c1)C(=O)N(C1CC1)C2=O
InChIInChI=1S/C17H13N3O3/c21-15(19-14-3-1-2-8-18-14)10-4-7-12-13(9-10)17(23)20(16(12)22)11-5-6-11/h1-4,7-9,11H,5-6H2,(H,18,19,21)
InChIKeyZBFAINJOLBNVGC-UHFFFAOYSA-N
XLogP2.09
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-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

Related Compounds

2-cyclopropyl-N-(3-methyl-2-pyridinyl)-1,3-dioxoisoindole-5-carboxamide
CID 71936857
N-(5-bromo-2-pyridinyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 29260312
1,3-dioxo-2-(2-phenylphenyl)-N-pyridin-2-ylisoindole-5-carboxamide
CID 1026006
9-oxo-N-pyridin-2-ylfluorene-2-carboxamide
CID 16613081
2-(3,4-dimethylphenyl)-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide
CID 2834960
2-cyclohexyl-1,3-dioxo-N-(1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 1369561
2-cyclohexyl-1,3-dioxo-N-[2-(pyridine-3-carbonylamino)phenyl]isoindole-5-carboxamide
CID 108925288
2-[(4-methoxyphenyl)methyl]-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide
CID 29129723
N-pyridin-2-yl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574823
pyridin-2-ylmethyl 2-cyclohexyl-1,3-dioxoisoindole-5-carboxylate
CID 43008844
2-cyclopentyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-dioxoisoindole-5-carboxamide
CID 39033368
2-cyclohexyl-1,3-dioxo-N-(6-pyrrolidin-1-yl-3-pyridinyl)isoindole-5-carboxamide
CID 37292360

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide (CID 29133038) is 2-cyclopropyl-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide is O=C(Nc1ccccn1)c1ccc2c(c1)C(=O)N(C1CC1)C2=O.
What is the InChIKey of 2-cyclopropyl-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide?
The InChIKey is ZBFAINJOLBNVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-15(19-14-3-1-2-8-18-14)10-4-7-12-13(9-10)17(23)20(16(12)22)11-5-6-11/h1-4,7-9,11H,5-6H2,(H,18,19,21).
What are the key properties of 2-cyclopropyl-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide?
2-cyclopropyl-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1,3-dioxo-N-pyridin-2-ylisoindole-5-carboxamide is sourced from PubChem (CID 29133038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).