3-oxo-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide

C24H23N3O5 — CID 5309844

IUPAC3-oxo-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cccc3c2C(=O)N(Cc2cccnc2)C3)cc(OC)c1OC
InChIInChI=1S/C24H23N3O5/c1-30-19-10-17(11-20(31-2)22(19)32-3)26-23(28)18-8-4-7-16-14-27(24(29)21(16)18)13-15-6-5-9-25-12-15/h4-12H,13-14H2,1-3H3,(H,26,28)
InChIKeyPWMBBBWQUZZSLQ-UHFFFAOYSA-N
MW433.46 g/mol
LogP3.52
Rot. Bonds7

About 3-oxo-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide

3-oxo-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide (PubChem CID 5309844) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 3-oxo-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide.

Molecular Properties

Compound Name3-oxo-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide
PubChem CID5309844
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name3-oxo-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide
SMILESCOc1cc(NC(=O)c2cccc3c2C(=O)N(Cc2cccnc2)C3)cc(OC)c1OC
InChIInChI=1S/C24H23N3O5/c1-30-19-10-17(11-20(31-2)22(19)32-3)26-23(28)18-8-4-7-16-14-27(24(29)21(16)18)13-15-6-5-9-25-12-15/h4-12H,13-14H2,1-3H3,(H,26,28)
InChIKeyPWMBBBWQUZZSLQ-UHFFFAOYSA-N
XLogP3.52
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-oxo-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-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-(3,4,5-Trimethoxyanilino)-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)benzamide
CID 11853912
4-(6,6-Dimethyl-4-oxo-5,7-dihydroindol-1-yl)-2-(3,4,5-trimethoxyanilino)benzamide
CID 44190573
N-(4-ethoxyphenyl)-3-oxo-2-(pyridin-3-ylmethyl)isoindoline-4-carboxamide
CID 3238619
4-(3-methyl-4-oxo-6,7-dihydro-5H-indol-1-yl)-2-(3,4,5-trimethoxyanilino)benzamide
CID 11855209
N-(3,4-dimethoxyphenyl)-3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]pyridin-2-yl)propanamide
CID 1502162
N-(4-methoxyphenyl)-1,3-dioxo-2-(3-pyridinylmethyl)-5-isoindolinecarboxamide
CID 1254267
N-1,3-benzodioxol-5-yl-3-oxo-2-(pyridin-3-ylmethyl)isoindoline-4-carboxamide
CID 3239696
N~1~-(2,3-Dihydro-1,4-benzodioxin-6-YL)-3-(1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-C]pyridin-2-YL)propanamide
CID 3239986
1,5-dimethyl-4-oxo-N-(3,4,5-trimethoxyphenyl)pyrrolo[3,2-c]quinoline-2-carboxamide
CID 5309406
2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 9550951
2-cyclohexyl-3-oxo-N-(3,4,5-trimethoxyphenyl)isoindoline-4-carboxamide
CID 15990934
2-((1H-pyrrolo[3,2-c]pyridin-1-yl)methyl)-N-(benzo[d][1,3]dioxol-5-yl)benzamide
CID 44409329

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide?
The IUPAC name of 3-oxo-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide (CID 5309844) is 3-oxo-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide.
What is the SMILES notation for 3-oxo-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide?
The canonical SMILES for 3-oxo-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide is COc1cc(NC(=O)c2cccc3c2C(=O)N(Cc2cccnc2)C3)cc(OC)c1OC.
What is the InChIKey of 3-oxo-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide?
The InChIKey is PWMBBBWQUZZSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-30-19-10-17(11-20(31-2)22(19)32-3)26-23(28)18-8-4-7-16-14-27(24(29)21(16)18)13-15-6-5-9-25-12-15/h4-12H,13-14H2,1-3H3,(H,26,28).
What are the key properties of 3-oxo-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide?
3-oxo-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide has a molecular weight of 433.46 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-(pyridin-3-ylmethyl)-N-(3,4,5-trimethoxyphenyl)-1H-isoindole-4-carboxamide is sourced from PubChem (CID 5309844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).