1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C18H18N4O3 — CID 24664567

IUPAC1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCC1c2cccn2CCN1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C18H18N4O3/c1-11-15-4-3-7-21(15)8-9-22(11)18(25)19-12-5-6-13-14(10-12)17(24)20(2)16(13)23/h3-7,10-11H,8-9H2,1-2H3,(H,19,25)
InChIKeyUYAGBDRJGFFVFP-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.32
Rot. Bonds1

About 1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 24664567) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID24664567
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCC1c2cccn2CCN1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C18H18N4O3/c1-11-15-4-3-7-21(15)8-9-22(11)18(25)19-12-5-6-13-14(10-12)17(24)20(2)16(13)23/h3-7,10-11H,8-9H2,1-2H3,(H,19,25)
InChIKeyUYAGBDRJGFFVFP-UHFFFAOYSA-N
XLogP2.32
TPSA74.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 17486899
1-methyl-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 17462643
N-(3,5-dimethylphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965011
N-(4-ethylphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965006
N-(4-methoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965018
N-(2-fluorophenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965041
(1R)-N-(5-chloro-2-methylphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92711934
N-(4-methylphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 3258959
(1R)-N-(3,4-dichlorophenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 8670304
N-(2-methyl-1,3-dioxoisoindol-5-yl)morpholine-4-carboxamide
CID 24664341
N,1-bis(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 18580564
N-(5-chloro-2-methoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965013

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 24664567) is 1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CC1c2cccn2CCN1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is UYAGBDRJGFFVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11-15-4-3-7-21(15)8-9-22(11)18(25)19-12-5-6-13-14(10-12)17(24)20(2)16(13)23/h3-7,10-11H,8-9H2,1-2H3,(H,19,25).
What are the key properties of 1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 24664567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).