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

C14H18N4O3 — CID 53001040

IUPACN-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
SMILESCCCCNC(=O)Cn1c(=O)c(=O)n(C)c2ncccc21
InChIInChI=1S/C14H18N4O3/c1-3-4-7-15-11(19)9-18-10-6-5-8-16-12(10)17(2)13(20)14(18)21/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,19)
InChIKeyUXAZHSDOGGYIMR-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.01
Rot. Bonds5

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

N-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide (PubChem CID 53001040) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
PubChem CID53001040
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
SMILESCCCCNC(=O)Cn1c(=O)c(=O)n(C)c2ncccc21
InChIInChI=1S/C14H18N4O3/c1-3-4-7-15-11(19)9-18-10-6-5-8-16-12(10)17(2)13(20)14(18)21/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,19)
InChIKeyUXAZHSDOGGYIMR-UHFFFAOYSA-N
XLogP0.01
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.01
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

N-butyl-2-(4-ethyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46357144
2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 93060384
2-(4-benzyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(3-phenylpropyl)acetamide
CID 53001131
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
CID 18142151
2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-propylacetamide
CID 71841486
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001024
2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 53001038
N-[3-(diethylamino)propyl]-2-(4-methyl-2,3-dioxoquinoxalin-1-yl)acetamide
CID 46356945
N-(3-methoxypropyl)-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 53159278
N-[3-(4-methylpiperazin-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 22553432
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001110
N-[(3-bromophenyl)methyl]-2-(4-ethyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001112

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide?
The IUPAC name of N-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide (CID 53001040) is N-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide is CCCCNC(=O)Cn1c(=O)c(=O)n(C)c2ncccc21.
What is the InChIKey of N-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide?
The InChIKey is UXAZHSDOGGYIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-3-4-7-15-11(19)9-18-10-6-5-8-16-12(10)17(2)13(20)14(18)21/h5-6,8H,3-4,7,9H2,1-2H3,(H,15,19).
What are the key properties of N-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide?
N-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide has a molecular weight of 290.32 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide is sourced from PubChem (CID 53001040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).