2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide

C18H20N4O4 — CID 93060408

IUPAC2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide
SMILESCCn1c(=O)c(=O)n(CC(=O)N[C@@H](C)Cc2ccco2)c2cccnc21
InChIInChI=1S/C18H20N4O4/c1-3-21-16-14(7-4-8-19-16)22(18(25)17(21)24)11-15(23)20-12(2)10-13-6-5-9-26-13/h4-9,12H,3,10-11H2,1-2H3,(H,20,23)/t12-/m0/s1
InChIKeyQQGUSKDQTOGMFF-LBPRGKRZSA-N
MW356.38 g/mol
LogP0.92
Rot. Bonds6

About 2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide

2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide (PubChem CID 93060408) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide
PubChem CID93060408
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide
SMILESCCn1c(=O)c(=O)n(CC(=O)N[C@@H](C)Cc2ccco2)c2cccnc21
InChIInChI=1S/C18H20N4O4/c1-3-21-16-14(7-4-8-19-16)22(18(25)17(21)24)11-15(23)20-12(2)10-13-6-5-9-26-13/h4-9,12H,3,10-11H2,1-2H3,(H,20,23)/t12-/m0/s1
InChIKeyQQGUSKDQTOGMFF-LBPRGKRZSA-N
XLogP0.92
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 93060405
N-[1-(furan-2-yl)propan-2-yl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 47026554
2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 53001145
2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 53001038
N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357080
N-butan-2-yl-2-(3-methyl-7-oxo-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 53149154
N-[(3-bromophenyl)methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001112
2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 53001231
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001110
N-[(2S)-1-(furan-2-yl)propan-2-yl]-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 95074228
N-[1-(furan-2-yl)propan-2-yl]pyridine-2-carboxamide
CID 42957156
N-[1-(furan-2-yl)propan-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604499

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide (CID 93060408) is 2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide is CCn1c(=O)c(=O)n(CC(=O)N[C@@H](C)Cc2ccco2)c2cccnc21.
What is the InChIKey of 2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide?
The InChIKey is QQGUSKDQTOGMFF-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-3-21-16-14(7-4-8-19-16)22(18(25)17(21)24)11-15(23)20-12(2)10-13-6-5-9-26-13/h4-9,12H,3,10-11H2,1-2H3,(H,20,23)/t12-/m0/s1.
What are the key properties of 2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide?
2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide has a molecular weight of 356.38 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide is sourced from PubChem (CID 93060408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).