2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide

C21H24N4O3 — CID 93060405

IUPAC2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCCn1c(=O)c(=O)n(CC(=O)N[C@H](C)CCc2ccccc2)c2cccnc21
InChIInChI=1S/C21H24N4O3/c1-3-24-19-17(10-7-13-22-19)25(21(28)20(24)27)14-18(26)23-15(2)11-12-16-8-5-4-6-9-16/h4-10,13,15H,3,11-12,14H2,1-2H3,(H,23,26)/t15-/m1/s1
InChIKeyKKYFPJLFXAEBAL-OAHLLOKOSA-N
MW380.45 g/mol
LogP1.72
Rot. Bonds7

About 2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 93060405) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID93060405
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCCn1c(=O)c(=O)n(CC(=O)N[C@H](C)CCc2ccccc2)c2cccnc21
InChIInChI=1S/C21H24N4O3/c1-3-24-19-17(10-7-13-22-19)25(21(28)20(24)27)14-18(26)23-15(2)11-12-16-8-5-4-6-9-16/h4-10,13,15H,3,11-12,14H2,1-2H3,(H,23,26)/t15-/m1/s1
InChIKeyKKYFPJLFXAEBAL-OAHLLOKOSA-N
XLogP1.72
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 53001231
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7450507
2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2S)-1-(furan-2-yl)propan-2-yl]acetamide
CID 93060408
1-ethyl-2-oxo-N-[(2R)-4-phenylbutan-2-yl]-1,8-naphthyridine-3-carboxamide
CID 7619828
3-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 92687284
N-butan-2-yl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357080
N-[(3-bromophenyl)methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001112
2-[2-(3-ethylphenyl)-3-oxopyrazolo[3,4-b]pyridin-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 95072007
2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 18147602
2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(3-phenylpropyl)acetamide
CID 53001131

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 93060405) is 2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide is CCn1c(=O)c(=O)n(CC(=O)N[C@H](C)CCc2ccccc2)c2cccnc21.
What is the InChIKey of 2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is KKYFPJLFXAEBAL-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-3-24-19-17(10-7-13-22-19)25(21(28)20(24)27)14-18(26)23-15(2)11-12-16-8-5-4-6-9-16/h4-10,13,15H,3,11-12,14H2,1-2H3,(H,23,26)/t15-/m1/s1.
What are the key properties of 2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 93060405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).