N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide

C19H23N3O3 — CID 42923893

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide
SMILESCC1c2cccn2CCN1CCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H23N3O3/c1-14-16-3-2-7-22(16)10-9-21(14)8-6-19(23)20-15-4-5-17-18(13-15)25-12-11-24-17/h2-5,7,13-14H,6,8-12H2,1H3,(H,20,23)
InChIKeyLRXMBECYKPSJFN-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.66
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide (PubChem CID 42923893) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide
PubChem CID42923893
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide
SMILESCC1c2cccn2CCN1CCC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H23N3O3/c1-14-16-3-2-7-22(16)10-9-21(14)8-6-19(23)20-15-4-5-17-18(13-15)25-12-11-24-17/h2-5,7,13-14H,6,8-12H2,1H3,(H,20,23)
InChIKeyLRXMBECYKPSJFN-UHFFFAOYSA-N
XLogP2.66
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide (CID 42923893) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide is CC1c2cccn2CCN1CCC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide?
The InChIKey is LRXMBECYKPSJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-16-3-2-7-22(16)10-9-21(14)8-6-19(23)20-15-4-5-17-18(13-15)25-12-11-24-17/h2-5,7,13-14H,6,8-12H2,1H3,(H,20,23).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide has a molecular weight of 341.41 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propanamide is sourced from PubChem (CID 42923893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).