N-[2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide

C23H21N3O3 — CID 22517432

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCC(c1cccnc1)N1CCc2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H21N3O3/c27-23(17-7-8-21-22(12-17)29-15-28-21)25-14-20(18-5-3-10-24-13-18)26-11-9-16-4-1-2-6-19(16)26/h1-8,10,12-13,20H,9,11,14-15H2,(H,25,27)
InChIKeyFOBCZWQJEGTYGI-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.34
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide

N-[2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 22517432) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID22517432
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCC(c1cccnc1)N1CCc2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H21N3O3/c27-23(17-7-8-21-22(12-17)29-15-28-21)25-14-20(18-5-3-10-24-13-18)26-11-9-16-4-1-2-6-19(16)26/h1-8,10,12-13,20H,9,11,14-15H2,(H,25,27)
InChIKeyFOBCZWQJEGTYGI-UHFFFAOYSA-N
XLogP3.34
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-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

N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 7178897
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylethyl]-3-nitrobenzamide
CID 41180912
N-[2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylethyl]-N'-(2-methylphenyl)oxamide
CID 22517445
N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 18163065
N-[2-(2,3-dihydroindol-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 73052052
N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-(2,3-dihydroindol-1-yl)-2-[4-(dimethylamino)phenyl]ethyl]oxamide
CID 18583728
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 7526083
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 7526085
4-chloro-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-ylethyl]-3-nitrobenzamide
CID 30716596
4-chloro-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridin-3-ylethyl]-3-nitrobenzamide
CID 16803264
N-(2-phenyl-3-pyridin-4-ylpropyl)-1,3-benzodioxole-5-carboxamide
CID 110361188
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 27564173

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide (CID 22517432) is N-[2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide is O=C(NCC(c1cccnc1)N1CCc2ccccc21)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is FOBCZWQJEGTYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-23(17-7-8-21-22(12-17)29-15-28-21)25-14-20(18-5-3-10-24-13-18)26-11-9-16-4-1-2-6-19(16)26/h1-8,10,12-13,20H,9,11,14-15H2,(H,25,27).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 22517432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).