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

C19H20N4O3 — CID 93060384

IUPAC2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-2-phenylpropyl]acetamide
SMILESC[C@@H](CNC(=O)Cn1c(=O)c(=O)n(C)c2ncccc21)c1ccccc1
InChIInChI=1S/C19H20N4O3/c1-13(14-7-4-3-5-8-14)11-21-16(24)12-23-15-9-6-10-20-17(15)22(2)18(25)19(23)26/h3-10,13H,11-12H2,1-2H3,(H,21,24)/t13-/m0/s1
InChIKeyGOYKITSUSGRKGU-ZDUSSCGKSA-N
MW352.39 g/mol
LogP1.02
Rot. Bonds5

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

2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-2-phenylpropyl]acetamide (PubChem CID 93060384) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-2-phenylpropyl]acetamide
PubChem CID93060384
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-2-phenylpropyl]acetamide
SMILESC[C@@H](CNC(=O)Cn1c(=O)c(=O)n(C)c2ncccc21)c1ccccc1
InChIInChI=1S/C19H20N4O3/c1-13(14-7-4-3-5-8-14)11-21-16(24)12-23-15-9-6-10-20-17(15)22(2)18(25)19(23)26/h3-10,13H,11-12H2,1-2H3,(H,21,24)/t13-/m0/s1
InChIKeyGOYKITSUSGRKGU-ZDUSSCGKSA-N
XLogP1.02
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.02
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-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 53001038
N-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001040
2-[4-[(4-chlorophenyl)methyl]-2,3-dioxoquinoxalin-1-yl]-N-(2-phenylpropyl)acetamide
CID 46357376
2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide
CID 51646878
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001024
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-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(3-phenylpropyl)acetamide
CID 53001131
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663
2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(1-phenylethyl)acetamide
CID 71841464
2-iodo-N-(2-phenylpropyl)acetamide
CID 64787373
2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 53030670

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-2-phenylpropyl]acetamide (CID 93060384) is 2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-2-phenylpropyl]acetamide is C[C@@H](CNC(=O)Cn1c(=O)c(=O)n(C)c2ncccc21)c1ccccc1.
What is the InChIKey of 2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-2-phenylpropyl]acetamide?
The InChIKey is GOYKITSUSGRKGU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-13(14-7-4-3-5-8-14)11-21-16(24)12-23-15-9-6-10-20-17(15)22(2)18(25)19(23)26/h3-10,13H,11-12H2,1-2H3,(H,21,24)/t13-/m0/s1.
What are the key properties of 2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-2-phenylpropyl]acetamide?
2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-2-phenylpropyl]acetamide has a molecular weight of 352.39 g/mol, XLogP of 1.02, 5 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-[(2R)-2-phenylpropyl]acetamide is sourced from PubChem (CID 93060384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).