(9aR)-N-(3-acetylphenyl)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide

C17H20N4O4 — CID 125158789

IUPAC(9aR)-N-(3-acetylphenyl)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCN3C(=O)CN(C)C(=O)[C@H]3C2)c1
InChIInChI=1S/C17H20N4O4/c1-11(22)12-4-3-5-13(8-12)18-17(25)20-6-7-21-14(9-20)16(24)19(2)10-15(21)23/h3-5,8,14H,6-7,9-10H2,1-2H3,(H,18,25)/t14-/m1/s1
InChIKeyUVEXEWDVQBQHME-CQSZACIVSA-N
MW344.37 g/mol
LogP0.41
Rot. Bonds2

About (9aR)-N-(3-acetylphenyl)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide

(9aR)-N-(3-acetylphenyl)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide (PubChem CID 125158789) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is (9aR)-N-(3-acetylphenyl)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(9aR)-N-(3-acetylphenyl)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
PubChem CID125158789
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name(9aR)-N-(3-acetylphenyl)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCN3C(=O)CN(C)C(=O)[C@H]3C2)c1
InChIInChI=1S/C17H20N4O4/c1-11(22)12-4-3-5-13(8-12)18-17(25)20-6-7-21-14(9-20)16(24)19(2)10-15(21)23/h3-5,8,14H,6-7,9-10H2,1-2H3,(H,18,25)/t14-/m1/s1
InChIKeyUVEXEWDVQBQHME-CQSZACIVSA-N
XLogP0.41
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 103896288
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(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
N-(4-acetylphenyl)-1,3-dioxo-2-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 78522899
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N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
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(9aR)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 126442437
N-(3-acetylphenyl)-3-methyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-10-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (9aR)-N-(3-acetylphenyl)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (9aR)-N-(3-acetylphenyl)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide (CID 125158789) is (9aR)-N-(3-acetylphenyl)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (9aR)-N-(3-acetylphenyl)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (9aR)-N-(3-acetylphenyl)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide is CC(=O)c1cccc(NC(=O)N2CCN3C(=O)CN(C)C(=O)[C@H]3C2)c1.
What is the InChIKey of (9aR)-N-(3-acetylphenyl)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The InChIKey is UVEXEWDVQBQHME-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-11(22)12-4-3-5-13(8-12)18-17(25)20-6-7-21-14(9-20)16(24)19(2)10-15(21)23/h3-5,8,14H,6-7,9-10H2,1-2H3,(H,18,25)/t14-/m1/s1.
What are the key properties of (9aR)-N-(3-acetylphenyl)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
(9aR)-N-(3-acetylphenyl)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-N-(3-acetylphenyl)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 125158789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).