(4aR,7aS)-N,N-dimethyl-6,6-dioxo-1-(2-oxo-1H-pyridine-3-carbonyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide

C15H20N4O5S — CID 133127686

IUPAC(4aR,7aS)-N,N-dimethyl-6,6-dioxo-1-(2-oxo-1H-pyridine-3-carbonyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2ccc[nH]c2=O)[C@@H]2CS(=O)(=O)C[C@@H]21
InChIInChI=1S/C15H20N4O5S/c1-17(2)15(22)19-7-6-18(11-8-25(23,24)9-12(11)19)14(21)10-4-3-5-16-13(10)20/h3-5,11-12H,6-9H2,1-2H3,(H,16,20)/t11-,12+/m1/s1
InChIKeyOHJMZTVDEXXZEW-NEPJUHHUSA-N
MW368.42 g/mol
LogP-1.02
Rot. Bonds1

About (4aR,7aS)-N,N-dimethyl-6,6-dioxo-1-(2-oxo-1H-pyridine-3-carbonyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide

(4aR,7aS)-N,N-dimethyl-6,6-dioxo-1-(2-oxo-1H-pyridine-3-carbonyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide (PubChem CID 133127686) has the molecular formula C15H20N4O5S and a molecular weight of 368.42 g/mol. Its IUPAC name is (4aR,7aS)-N,N-dimethyl-6,6-dioxo-1-(2-oxo-1H-pyridine-3-carbonyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide.

Molecular Properties

Compound Name(4aR,7aS)-N,N-dimethyl-6,6-dioxo-1-(2-oxo-1H-pyridine-3-carbonyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide
PubChem CID133127686
Molecular FormulaC15H20N4O5S
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC Name(4aR,7aS)-N,N-dimethyl-6,6-dioxo-1-(2-oxo-1H-pyridine-3-carbonyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)c2ccc[nH]c2=O)[C@@H]2CS(=O)(=O)C[C@@H]21
InChIInChI=1S/C15H20N4O5S/c1-17(2)15(22)19-7-6-18(11-8-25(23,24)9-12(11)19)14(21)10-4-3-5-16-13(10)20/h3-5,11-12H,6-9H2,1-2H3,(H,16,20)/t11-,12+/m1/s1
InChIKeyOHJMZTVDEXXZEW-NEPJUHHUSA-N
XLogP-1.02
TPSA110.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4aR,7aS)-N,N-dimethyl-6,6-dioxo-1-(2-oxo-1H-pyridine-3-carbonyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide with MolForge

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Related Compounds

3-{[(4aS*,7aR*)-6,6-dioxido-4-propionylhexahydrothieno[3,4-b]pyrazin-1(2H)-yl]carbonyl}-1-methyl-2(1H)-pyridinone
CID 70722515
1-[3-[(4aR,7aS)-1-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 70730717
(4aR*,7aS*)-N,N-dimethyl-4-[(2-oxo-1(2H)-pyridinyl)acetyl]hexahydrothieno[3,4-b]pyrazine-1(2H)-carboxamide 6,6-dioxide
CID 70745100
3-{[(4aS*,7aR*)-4-acetyl-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]carbonyl}-1-ethyl-6-methyl-2(1H)-pyridinone
CID 70761854
3-{[rel-(4aR,7aS)-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]carbonyl}-4,6-dimethyl-2-pyridinol
CID 70763650
3-{[(4aS*,7aR*)-4-butyryl-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]carbonyl}-1-methyl-2(1H)-pyridinone
CID 70766395
3-{[(4aS*,7aR*)-4-acetyl-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]carbonyl}-1-methyl-2(1H)-pyridinone
CID 70766797
3-{[(4aS*,7aR*)-6,6-dioxido-4-propylhexahydrothieno[3,4-b]pyrazin-1(2H)-yl]carbonyl}-2-pyridinol
CID 70768681
(4aR*,7aS*)-4-[(2-hydroxy-3-pyridinyl)carbonyl]-N,N-dimethylhexahydrothieno[3,4-b]pyrazine-1(2H)-carboxamide 6,6-dioxide
CID 70775246
4-{[(4aS*,7aR*)-4-(3-methyl-2-buten-1-yl)-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]carbonyl}-1,3-dihydro-2H-imidazol-2-one
CID 70779691
(4aR*,7aS*)-N,N-dimethyl-4-[(1-methyl-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]hexahydrothieno[3,4-b]pyrazine-1(2H)-carboxamide 6,6-dioxide
CID 70780068
3-{[(4aS*,7aR*)-4-(3-methyl-2-buten-1-yl)-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]carbonyl}-2-pyridinol
CID 70785906

Frequently Asked Questions

What is the IUPAC name of (4aR,7aS)-N,N-dimethyl-6,6-dioxo-1-(2-oxo-1H-pyridine-3-carbonyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide?
The IUPAC name of (4aR,7aS)-N,N-dimethyl-6,6-dioxo-1-(2-oxo-1H-pyridine-3-carbonyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide (CID 133127686) is (4aR,7aS)-N,N-dimethyl-6,6-dioxo-1-(2-oxo-1H-pyridine-3-carbonyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide.
What is the SMILES notation for (4aR,7aS)-N,N-dimethyl-6,6-dioxo-1-(2-oxo-1H-pyridine-3-carbonyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide?
The canonical SMILES for (4aR,7aS)-N,N-dimethyl-6,6-dioxo-1-(2-oxo-1H-pyridine-3-carbonyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide is CN(C)C(=O)N1CCN(C(=O)c2ccc[nH]c2=O)[C@@H]2CS(=O)(=O)C[C@@H]21.
What is the InChIKey of (4aR,7aS)-N,N-dimethyl-6,6-dioxo-1-(2-oxo-1H-pyridine-3-carbonyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide?
The InChIKey is OHJMZTVDEXXZEW-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H20N4O5S/c1-17(2)15(22)19-7-6-18(11-8-25(23,24)9-12(11)19)14(21)10-4-3-5-16-13(10)20/h3-5,11-12H,6-9H2,1-2H3,(H,16,20)/t11-,12+/m1/s1.
What are the key properties of (4aR,7aS)-N,N-dimethyl-6,6-dioxo-1-(2-oxo-1H-pyridine-3-carbonyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide?
(4aR,7aS)-N,N-dimethyl-6,6-dioxo-1-(2-oxo-1H-pyridine-3-carbonyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide has a molecular weight of 368.42 g/mol, XLogP of -1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,7aS)-N,N-dimethyl-6,6-dioxo-1-(2-oxo-1H-pyridine-3-carbonyl)-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide is sourced from PubChem (CID 133127686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).