N-(4-ethoxyphenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide

C16H17N3O3 — CID 91909088

IUPACN-(4-ethoxyphenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2Cn3cccc3C(=O)N2)cc1
InChIInChI=1S/C16H17N3O3/c1-2-22-12-7-5-11(6-8-12)17-15(20)13-10-19-9-3-4-14(19)16(21)18-13/h3-9,13H,2,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyKKJDKNGOPVVUEB-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.64
Rot. Bonds4

About N-(4-ethoxyphenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide

N-(4-ethoxyphenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide (PubChem CID 91909088) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide
PubChem CID91909088
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-(4-ethoxyphenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)C2Cn3cccc3C(=O)N2)cc1
InChIInChI=1S/C16H17N3O3/c1-2-22-12-7-5-11(6-8-12)17-15(20)13-10-19-9-3-4-14(19)16(21)18-13/h3-9,13H,2,10H2,1H3,(H,17,20)(H,18,21)
InChIKeyKKJDKNGOPVVUEB-UHFFFAOYSA-N
XLogP1.64
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide (CID 91909088) is N-(4-ethoxyphenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide is CCOc1ccc(NC(=O)C2Cn3cccc3C(=O)N2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
The InChIKey is KKJDKNGOPVVUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-2-22-12-7-5-11(6-8-12)17-15(20)13-10-19-9-3-4-14(19)16(21)18-13/h3-9,13H,2,10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(4-ethoxyphenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide?
N-(4-ethoxyphenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-3-carboxamide is sourced from PubChem (CID 91909088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).