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

C24H23N3O3 — CID 45106588

IUPAC3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCc2cccnc2)N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C24H23N3O3/c1-30-20-10-8-18(9-11-20)22(13-23(28)26-15-17-5-4-12-25-14-17)27-16-19-6-2-3-7-21(19)24(27)29/h2-12,14,22H,13,15-16H2,1H3,(H,26,28)
InChIKeyPVGJDHDQUBLHDK-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.49
Rot. Bonds7

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

3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)propanamide (PubChem CID 45106588) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)propanamide
PubChem CID45106588
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)propanamide
SMILESCOc1ccc(C(CC(=O)NCc2cccnc2)N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C24H23N3O3/c1-30-20-10-8-18(9-11-20)22(13-23(28)26-15-17-5-4-12-25-14-17)27-16-19-6-2-3-7-21(19)24(27)29/h2-12,14,22H,13,15-16H2,1H3,(H,26,28)
InChIKeyPVGJDHDQUBLHDK-UHFFFAOYSA-N
XLogP3.49
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)propanamide 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-3-ylmethyl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)propanamide (CID 45106588) is 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)propanamide is COc1ccc(C(CC(=O)NCc2cccnc2)N2Cc3ccccc3C2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)propanamide?
The InChIKey is PVGJDHDQUBLHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-30-20-10-8-18(9-11-20)22(13-23(28)26-15-17-5-4-12-25-14-17)27-16-19-6-2-3-7-21(19)24(27)29/h2-12,14,22H,13,15-16H2,1H3,(H,26,28).
What are the key properties of 3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)propanamide?
3-(4-methoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(pyridin-3-ylmethyl)propanamide has a molecular weight of 401.47 g/mol, XLogP of 3.49, 7 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-3-ylmethyl)propanamide is sourced from PubChem (CID 45106588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).