3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide

C20H23N3O4 — CID 90556292

IUPAC3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
SMILESCOc1cc(C(=O)NCCCn2ccc3cccnc32)cc(OC)c1OC
InChIInChI=1S/C20H23N3O4/c1-25-16-12-15(13-17(26-2)18(16)27-3)20(24)22-9-5-10-23-11-7-14-6-4-8-21-19(14)23/h4,6-8,11-13H,5,9-10H2,1-3H3,(H,22,24)
InChIKeyBKANHDUFPVTFPL-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.88
Rot. Bonds8

About 3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide

3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide (PubChem CID 90556292) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
PubChem CID90556292
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
SMILESCOc1cc(C(=O)NCCCn2ccc3cccnc32)cc(OC)c1OC
InChIInChI=1S/C20H23N3O4/c1-25-16-12-15(13-17(26-2)18(16)27-3)20(24)22-9-5-10-23-11-7-14-6-4-8-21-19(14)23/h4,6-8,11-13H,5,9-10H2,1-3H3,(H,22,24)
InChIKeyBKANHDUFPVTFPL-UHFFFAOYSA-N
XLogP2.88
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide 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

3,5-dimethyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556279
3-(2-methoxyphenyl)-1-methyl-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)pyrazole-5-carboxamide
CID 90556383
2-ethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide
CID 90556284
3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394118
N-(3-indol-1-ylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 25343089
3-(4-methoxyphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)propanamide
CID 90556350
2-(3-methylphenyl)-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide
CID 90556327
N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-2-carboxamide
CID 90556263
N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide
CID 108926572
N-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propyl]-3,4,5-trimethoxybenzamide
CID 3054253
1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea
CID 90556407
N-[2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 113082138

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide (CID 90556292) is 3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide is COc1cc(C(=O)NCCCn2ccc3cccnc32)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide?
The InChIKey is BKANHDUFPVTFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-25-16-12-15(13-17(26-2)18(16)27-3)20(24)22-9-5-10-23-11-7-14-6-4-8-21-19(14)23/h4,6-8,11-13H,5,9-10H2,1-3H3,(H,22,24).
What are the key properties of 3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide?
3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide has a molecular weight of 369.42 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)benzamide is sourced from PubChem (CID 90556292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).