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

C25H24N4O3 — CID 53001131

IUPAC2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(3-phenylpropyl)acetamide
SMILESO=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ncccc21)NCCCc1ccccc1
InChIInChI=1S/C25H24N4O3/c30-22(26-15-7-13-19-9-3-1-4-10-19)18-28-21-14-8-16-27-23(21)29(25(32)24(28)31)17-20-11-5-2-6-12-20/h1-6,8-12,14,16H,7,13,15,17-18H2,(H,26,30)
InChIKeyNVOGAPVKUSCVIS-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.36
Rot. Bonds8

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

2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(3-phenylpropyl)acetamide (PubChem CID 53001131) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(3-phenylpropyl)acetamide
PubChem CID53001131
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(3-phenylpropyl)acetamide
SMILESO=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ncccc21)NCCCc1ccccc1
InChIInChI=1S/C25H24N4O3/c30-22(26-15-7-13-19-9-3-1-4-10-19)18-28-21-14-8-16-27-23(21)29(25(32)24(28)31)17-20-11-5-2-6-12-20/h1-6,8-12,14,16H,7,13,15,17-18H2,(H,26,30)
InChIKeyNVOGAPVKUSCVIS-UHFFFAOYSA-N
XLogP2.36
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 53030670
2-[2,3-dioxo-4-(pyridin-4-ylmethyl)pyrido[2,3-b]pyrazin-1-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 53001231
N-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001040
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
CID 20879838
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(3-phenylpropyl)acetamide
CID 46860998
N-[3-(4-benzylpiperazin-1-yl)propyl]-2-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 22553448
2-[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(3-phenylpropyl)acetamide
CID 51046638
2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 93060405
2-[3-[(4-fluorophenyl)methyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]-N-(2-phenylethyl)acetamide
CID 18569546
2-(4-cyclopropyl-7-oxo-2,3,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-(2-phenylethyl)acetamide
CID 53172403
2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 53001038

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(3-phenylpropyl)acetamide (CID 53001131) is 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(3-phenylpropyl)acetamide is O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ncccc21)NCCCc1ccccc1.
What is the InChIKey of 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(3-phenylpropyl)acetamide?
The InChIKey is NVOGAPVKUSCVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c30-22(26-15-7-13-19-9-3-1-4-10-19)18-28-21-14-8-16-27-23(21)29(25(32)24(28)31)17-20-11-5-2-6-12-20/h1-6,8-12,14,16H,7,13,15,17-18H2,(H,26,30).
What are the key properties of 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(3-phenylpropyl)acetamide?
2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(3-phenylpropyl)acetamide has a molecular weight of 428.49 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 53001131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).