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

C16H20N4O3 — CID 56856309

IUPAC(7S,9aR)-7,8-dimethyl-6,9-dioxo-N-phenyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
SMILESC[C@H]1C(=O)N2CCN(C(=O)Nc3ccccc3)C[C@@H]2C(=O)N1C
InChIInChI=1S/C16H20N4O3/c1-11-14(21)20-9-8-19(10-13(20)15(22)18(11)2)16(23)17-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,23)/t11-,13+/m0/s1
InChIKeyDVDUZYMCBZBKMI-WCQYABFASA-N
MW316.36 g/mol
LogP0.59
Rot. Bonds1

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

(7S,9aR)-7,8-dimethyl-6,9-dioxo-N-phenyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide (PubChem CID 56856309) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (7S,9aR)-7,8-dimethyl-6,9-dioxo-N-phenyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(7S,9aR)-7,8-dimethyl-6,9-dioxo-N-phenyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
PubChem CID56856309
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(7S,9aR)-7,8-dimethyl-6,9-dioxo-N-phenyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
SMILESC[C@H]1C(=O)N2CCN(C(=O)Nc3ccccc3)C[C@@H]2C(=O)N1C
InChIInChI=1S/C16H20N4O3/c1-11-14(21)20-9-8-19(10-13(20)15(22)18(11)2)16(23)17-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,23)/t11-,13+/m0/s1
InChIKeyDVDUZYMCBZBKMI-WCQYABFASA-N
XLogP0.59
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7S,9aR)-7,8-dimethyl-6,9-dioxo-N-phenyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

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N-(4-acetylphenyl)-1,3-dioxo-2-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 78522899
(9aR)-N-(3-acetylphenyl)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide
CID 125158789
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(8aR)-2-(2-methoxyethyl)-3-oxo-N-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 75368528
4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide
CID 18093895
(7R,9aS)-N-(3-methoxyphenyl)-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 163129765
(3S,5R,9R)-N-(3-fluorophenyl)-5-hydroxy-2,8-dioxo-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-11-carboxamide
CID 56854009
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Frequently Asked Questions

What is the IUPAC name of (7S,9aR)-7,8-dimethyl-6,9-dioxo-N-phenyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (7S,9aR)-7,8-dimethyl-6,9-dioxo-N-phenyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide (CID 56856309) is (7S,9aR)-7,8-dimethyl-6,9-dioxo-N-phenyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (7S,9aR)-7,8-dimethyl-6,9-dioxo-N-phenyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (7S,9aR)-7,8-dimethyl-6,9-dioxo-N-phenyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide is C[C@H]1C(=O)N2CCN(C(=O)Nc3ccccc3)C[C@@H]2C(=O)N1C.
What is the InChIKey of (7S,9aR)-7,8-dimethyl-6,9-dioxo-N-phenyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
The InChIKey is DVDUZYMCBZBKMI-WCQYABFASA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-14(21)20-9-8-19(10-13(20)15(22)18(11)2)16(23)17-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,17,23)/t11-,13+/m0/s1.
What are the key properties of (7S,9aR)-7,8-dimethyl-6,9-dioxo-N-phenyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide?
(7S,9aR)-7,8-dimethyl-6,9-dioxo-N-phenyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,9aR)-7,8-dimethyl-6,9-dioxo-N-phenyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 56856309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).