1-ethyl-6-methyl-N-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C18H23N3O — CID 22510402

IUPAC1-ethyl-6-methyl-N-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1C
InChIInChI=1S/C18H23N3O/c1-4-16-17-10-9-14(3)20(17)11-12-21(16)18(22)19-15-8-6-5-7-13(15)2/h5-10,16H,4,11-12H2,1-3H3,(H,19,22)
InChIKeyXXEQNJDAHZKUKS-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.10
Rot. Bonds2

About 1-ethyl-6-methyl-N-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

1-ethyl-6-methyl-N-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 22510402) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-ethyl-6-methyl-N-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-6-methyl-N-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID22510402
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-ethyl-6-methyl-N-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1C
InChIInChI=1S/C18H23N3O/c1-4-16-17-10-9-14(3)20(17)11-12-21(16)18(22)19-15-8-6-5-7-13(15)2/h5-10,16H,4,11-12H2,1-3H3,(H,19,22)
InChIKeyXXEQNJDAHZKUKS-UHFFFAOYSA-N
XLogP4.10
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-ethyl-6-methyl-N-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-N-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 1-ethyl-6-methyl-N-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 22510402) is 1-ethyl-6-methyl-N-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 1-ethyl-6-methyl-N-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 1-ethyl-6-methyl-N-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1C.
What is the InChIKey of 1-ethyl-6-methyl-N-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is XXEQNJDAHZKUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-4-16-17-10-9-14(3)20(17)11-12-21(16)18(22)19-15-8-6-5-7-13(15)2/h5-10,16H,4,11-12H2,1-3H3,(H,19,22).
What are the key properties of 1-ethyl-6-methyl-N-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
1-ethyl-6-methyl-N-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-N-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 22510402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).