3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-2-ylpropanamide

C23H21N3O3 — CID 24761480

IUPAC3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-2-ylpropanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccccn2)N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C23H21N3O3/c1-29-18-11-9-16(10-12-18)20(14-22(27)25-21-8-4-5-13-24-21)26-15-17-6-2-3-7-19(17)23(26)28/h2-13,20H,14-15H2,1H3,(H,24,25,27)
InChIKeyXRUMTIMHZVQDQA-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.82
Rot. Bonds6

About 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-2-ylpropanamide

3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-2-ylpropanamide (PubChem CID 24761480) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-2-ylpropanamide
PubChem CID24761480
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-2-ylpropanamide
SMILESCOc1ccc(C(CC(=O)Nc2ccccn2)N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C23H21N3O3/c1-29-18-11-9-16(10-12-18)20(14-22(27)25-21-8-4-5-13-24-21)26-15-17-6-2-3-7-19(17)23(26)28/h2-13,20H,14-15H2,1H3,(H,24,25,27)
InChIKeyXRUMTIMHZVQDQA-UHFFFAOYSA-N
XLogP3.82
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-2-ylpropanamide 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 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-2-ylpropanamide (CID 24761480) is 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-2-ylpropanamide is COc1ccc(C(CC(=O)Nc2ccccn2)N2Cc3ccccc3C2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-2-ylpropanamide?
The InChIKey is XRUMTIMHZVQDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-29-18-11-9-16(10-12-18)20(14-22(27)25-21-8-4-5-13-24-21)26-15-17-6-2-3-7-19(17)23(26)28/h2-13,20H,14-15H2,1H3,(H,24,25,27).
What are the key properties of 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-2-ylpropanamide?
3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-2-ylpropanamide has a molecular weight of 387.44 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 24761480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).