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

C20H22N4O3 — CID 53001038

IUPAC2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cn1c(=O)c(=O)n(C)c2ncccc21
InChIInChI=1S/C20H22N4O3/c1-14(10-11-15-7-4-3-5-8-15)22-17(25)13-24-16-9-6-12-21-18(16)23(2)19(26)20(24)27/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,25)
InChIKeyONCPFFAEABEVSP-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.23
Rot. Bonds6

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

2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 53001038) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID53001038
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)Cn1c(=O)c(=O)n(C)c2ncccc21
InChIInChI=1S/C20H22N4O3/c1-14(10-11-15-7-4-3-5-8-15)22-17(25)13-24-16-9-6-12-21-18(16)23(2)19(26)20(24)27/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,25)
InChIKeyONCPFFAEABEVSP-UHFFFAOYSA-N
XLogP1.23
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.23
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-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 93060405
2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 53001231
2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 93060384
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
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 7450507
1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 43995808
2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 18147602
N-[4-(4-bromophenyl)butan-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 60566374
2-(3,7-dibutyl-2,6-dioxopurin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 42971291
N-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001040
2-(2-oxo-1,3-benzoxazol-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 16606244

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide (CID 53001038) is 2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)Cn1c(=O)c(=O)n(C)c2ncccc21.
What is the InChIKey of 2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is ONCPFFAEABEVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-14(10-11-15-7-4-3-5-8-15)22-17(25)13-24-16-9-6-12-21-18(16)23(2)19(26)20(24)27/h3-9,12,14H,10-11,13H2,1-2H3,(H,22,25).
What are the key properties of 2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide?
2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 366.42 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 53001038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).