N-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide

C23H19N3O3 — CID 8850570

IUPACN-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)N(Cc1cccnc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H19N3O3/c27-23(10-17-13-25-20-6-2-1-5-19(17)20)26(14-16-4-3-9-24-12-16)18-7-8-21-22(11-18)29-15-28-21/h1-9,11-13,25H,10,14-15H2
InChIKeyIYGPBEUHELMDAG-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.07
Rot. Bonds5

About N-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide

N-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 8850570) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID8850570
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
SMILESO=C(Cc1c[nH]c2ccccc12)N(Cc1cccnc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H19N3O3/c27-23(10-17-13-25-20-6-2-1-5-19(17)20)26(14-16-4-3-9-24-12-16)18-7-8-21-22(11-18)29-15-28-21/h1-9,11-13,25H,10,14-15H2
InChIKeyIYGPBEUHELMDAG-UHFFFAOYSA-N
XLogP4.07
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 46124380
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-N-methylacetamide
CID 110752269
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-(1H-indol-3-yl)acetamide
CID 113055312
2-(1,3-benzodioxol-5-yl)-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 139216201
N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110360634
2-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 47350006
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 18117801
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-butyl-1,3-benzodioxole-5-carboxamide
CID 3309491
N-[(4-methylphenyl)methyl]-N-[3-[2-oxo-2-(pyridin-3-ylmethylamino)ethyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 46057164
3-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 4806902
2-[1,3-benzodioxol-5-yl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-phenylacetamide
CID 3190705
2-(5-chloro-1H-indol-3-yl)-N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 75435791

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 8850570) is N-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide is O=C(Cc1c[nH]c2ccccc12)N(Cc1cccnc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is IYGPBEUHELMDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-23(10-17-13-25-20-6-2-1-5-19(17)20)26(14-16-4-3-9-24-12-16)18-7-8-21-22(11-18)29-15-28-21/h1-9,11-13,25H,10,14-15H2.
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 385.42 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(1H-indol-3-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 8850570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).