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

C16H22N4O5S — CID 70745100

IUPAC(4aS,7aR)-N,N-dimethyl-6,6-dioxo-1-[2-(2-oxo-1-pyridinyl)acetyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)Cn2ccccc2=O)[C@H]2CS(=O)(=O)C[C@H]21
InChIInChI=1S/C16H22N4O5S/c1-17(2)16(23)20-8-7-19(12-10-26(24,25)11-13(12)20)15(22)9-18-6-4-3-5-14(18)21/h3-6,12-13H,7-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyUPFUFSJEGTUTSS-QWHCGFSZSA-N
MW382.44 g/mol
LogP-1.16
Rot. Bonds2

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

(4aS,7aR)-N,N-dimethyl-6,6-dioxo-1-[2-(2-oxo-1-pyridinyl)acetyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide (PubChem CID 70745100) has the molecular formula C16H22N4O5S and a molecular weight of 382.44 g/mol. Its IUPAC name is (4aS,7aR)-N,N-dimethyl-6,6-dioxo-1-[2-(2-oxo-1-pyridinyl)acetyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide.

Molecular Properties

Compound Name(4aS,7aR)-N,N-dimethyl-6,6-dioxo-1-[2-(2-oxo-1-pyridinyl)acetyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide
PubChem CID70745100
Molecular FormulaC16H22N4O5S
Molecular Weight382.44 g/mol
Exact Mass382.13
IUPAC Name(4aS,7aR)-N,N-dimethyl-6,6-dioxo-1-[2-(2-oxo-1-pyridinyl)acetyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide
SMILESCN(C)C(=O)N1CCN(C(=O)Cn2ccccc2=O)[C@H]2CS(=O)(=O)C[C@H]21
InChIInChI=1S/C16H22N4O5S/c1-17(2)16(23)20-8-7-19(12-10-26(24,25)11-13(12)20)15(22)9-18-6-4-3-5-14(18)21/h3-6,12-13H,7-11H2,1-2H3/t12-,13+/m0/s1
InChIKeyUPFUFSJEGTUTSS-QWHCGFSZSA-N
XLogP-1.16
TPSA100.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (4aS,7aR)-N,N-dimethyl-6,6-dioxo-1-[2-(2-oxo-1-pyridinyl)acetyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide?
The IUPAC name of (4aS,7aR)-N,N-dimethyl-6,6-dioxo-1-[2-(2-oxo-1-pyridinyl)acetyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide (CID 70745100) is (4aS,7aR)-N,N-dimethyl-6,6-dioxo-1-[2-(2-oxo-1-pyridinyl)acetyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide.
What is the SMILES notation for (4aS,7aR)-N,N-dimethyl-6,6-dioxo-1-[2-(2-oxo-1-pyridinyl)acetyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide?
The canonical SMILES for (4aS,7aR)-N,N-dimethyl-6,6-dioxo-1-[2-(2-oxo-1-pyridinyl)acetyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide is CN(C)C(=O)N1CCN(C(=O)Cn2ccccc2=O)[C@H]2CS(=O)(=O)C[C@H]21.
What is the InChIKey of (4aS,7aR)-N,N-dimethyl-6,6-dioxo-1-[2-(2-oxo-1-pyridinyl)acetyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide?
The InChIKey is UPFUFSJEGTUTSS-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H22N4O5S/c1-17(2)16(23)20-8-7-19(12-10-26(24,25)11-13(12)20)15(22)9-18-6-4-3-5-14(18)21/h3-6,12-13H,7-11H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (4aS,7aR)-N,N-dimethyl-6,6-dioxo-1-[2-(2-oxo-1-pyridinyl)acetyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide?
(4aS,7aR)-N,N-dimethyl-6,6-dioxo-1-[2-(2-oxo-1-pyridinyl)acetyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide has a molecular weight of 382.44 g/mol, XLogP of -1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aR)-N,N-dimethyl-6,6-dioxo-1-[2-(2-oxo-1-pyridinyl)acetyl]-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine-4-carboxamide is sourced from PubChem (CID 70745100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).