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

C19H25N3O — CID 22510391

IUPAC1-ethyl-N-(2-ethylphenyl)-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCn2c(C)ccc2C1CC
InChIInChI=1S/C19H25N3O/c1-4-15-8-6-7-9-16(15)20-19(23)22-13-12-21-14(3)10-11-18(21)17(22)5-2/h6-11,17H,4-5,12-13H2,1-3H3,(H,20,23)
InChIKeyATJNPPLGNKFYET-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.36
Rot. Bonds3

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

1-ethyl-N-(2-ethylphenyl)-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 22510391) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-ethyl-N-(2-ethylphenyl)-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-ethylphenyl)-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID22510391
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name1-ethyl-N-(2-ethylphenyl)-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCc1ccccc1NC(=O)N1CCn2c(C)ccc2C1CC
InChIInChI=1S/C19H25N3O/c1-4-15-8-6-7-9-16(15)20-19(23)22-13-12-21-14(3)10-11-18(21)17(22)5-2/h6-11,17H,4-5,12-13H2,1-3H3,(H,20,23)
InChIKeyATJNPPLGNKFYET-UHFFFAOYSA-N
XLogP4.36
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-ethylphenyl)-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 1-ethyl-N-(2-ethylphenyl)-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 22510391) is 1-ethyl-N-(2-ethylphenyl)-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-ethylphenyl)-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-ethylphenyl)-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CCc1ccccc1NC(=O)N1CCn2c(C)ccc2C1CC.
What is the InChIKey of 1-ethyl-N-(2-ethylphenyl)-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is ATJNPPLGNKFYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-15-8-6-7-9-16(15)20-19(23)22-13-12-21-14(3)10-11-18(21)17(22)5-2/h6-11,17H,4-5,12-13H2,1-3H3,(H,20,23).
What are the key properties of 1-ethyl-N-(2-ethylphenyl)-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
1-ethyl-N-(2-ethylphenyl)-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-ethylphenyl)-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 22510391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).