N-(1,3-benzodioxol-5-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide

C17H19N3O3 — CID 43013017

IUPACN-(1,3-benzodioxol-5-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
SMILESCC1c2cccn2CCN1CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H19N3O3/c1-12-14-3-2-6-19(14)7-8-20(12)10-17(21)18-13-4-5-15-16(9-13)23-11-22-15/h2-6,9,12H,7-8,10-11H2,1H3,(H,18,21)
InChIKeyJBARBUVEZOVVIS-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.23
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide

N-(1,3-benzodioxol-5-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide (PubChem CID 43013017) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
PubChem CID43013017
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
SMILESCC1c2cccn2CCN1CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C17H19N3O3/c1-12-14-3-2-6-19(14)7-8-20(12)10-17(21)18-13-4-5-15-16(9-13)23-11-22-15/h2-6,9,12H,7-8,10-11H2,1H3,(H,18,21)
InChIKeyJBARBUVEZOVVIS-UHFFFAOYSA-N
XLogP2.23
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide 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-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylcarbamoyl)-2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 31320485
methyl 4-[[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetyl]amino]benzoate
CID 43013020
N-[4-(difluoromethylsulfanyl)phenyl]-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide
CID 18087478
N-(1,3-benzodioxol-5-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928499
N-(1,3-benzodioxol-5-yl)-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 17440176
N-(1,3-benzodioxol-5-yl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916161
2-[4-(aminomethyl)-2-methylpyrrolidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 115486420
2-(4-amino-3-methylpiperidin-1-yl)-N-(1,3-benzodioxol-5-yl)acetamide
CID 79874642
2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-N-(1,3-benzodioxol-5-yl)acetamide
CID 127347117
N-(1,3-benzodioxol-5-yl)-2-(3-cyclopentyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2660752
2-[2-(1-aminoethyl)piperidin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
CID 119911565
N-(1,3-benzodioxol-5-yl)-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 18580597

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide (CID 43013017) is N-(1,3-benzodioxol-5-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide is CC1c2cccn2CCN1CC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
The InChIKey is JBARBUVEZOVVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-14-3-2-6-19(14)7-8-20(12)10-17(21)18-13-4-5-15-16(9-13)23-11-22-15/h2-6,9,12H,7-8,10-11H2,1H3,(H,18,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide has a molecular weight of 313.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)acetamide is sourced from PubChem (CID 43013017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).