N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide

C23H21N3O4 — CID 91909188

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1Cn2cccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H21N3O4/c27-22(24-12-17-8-9-20-21(11-17)30-15-29-20)19-14-25-10-4-7-18(25)23(28)26(19)13-16-5-2-1-3-6-16/h1-11,19H,12-15H2,(H,24,27)
InChIKeyUDKOEBFTRXSNRT-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.56
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 91909188) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID91909188
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)C1Cn2cccc2C(=O)N1Cc1ccccc1
InChIInChI=1S/C23H21N3O4/c27-22(24-12-17-8-9-20-21(11-17)30-15-29-20)19-14-25-10-4-7-18(25)23(28)26(19)13-16-5-2-1-3-6-16/h1-11,19H,12-15H2,(H,24,27)
InChIKeyUDKOEBFTRXSNRT-UHFFFAOYSA-N
XLogP2.56
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-phenylcyclopropane-1-carboxamide
CID 2862795
1-N'-(1,3-benzodioxol-5-ylmethyl)-1-N-benzylcyclopropane-1,1-dicarboxamide
CID 108974741
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-benzyl-2,3-dioxopiperazin-1-yl)propanamide
CID 46344339
4-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 22107866
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
CID 30444920
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351099
(2R,5R)-N-(1,3-benzodioxol-5-ylmethyl)-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 154923238
(5S)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42367205
(5R)-N-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 42367208
2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135882
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 7284123
N-(1,3-benzodioxol-5-ylmethyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113004370

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide (CID 91909188) is N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide is O=C(NCc1ccc2c(c1)OCO2)C1Cn2cccc2C(=O)N1Cc1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is UDKOEBFTRXSNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c27-22(24-12-17-8-9-20-21(11-17)30-15-29-20)19-14-25-10-4-7-18(25)23(28)26(19)13-16-5-2-1-3-6-16/h1-11,19H,12-15H2,(H,24,27).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 2.56, 5 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-ylmethyl)-2-benzyl-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 91909188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).