N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide

C20H19N3O3 — CID 53118442

IUPACN-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide
SMILESCCOc1ccc(-n2ccnc(NC(=O)c3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C20H19N3O3/c1-3-26-17-10-8-16(9-11-17)23-13-12-21-18(20(23)25)22-19(24)15-6-4-14(2)5-7-15/h4-13H,3H2,1-2H3,(H,21,22,24)
InChIKeyLYYPDMRNFOASLH-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.19
Rot. Bonds5

About N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide

N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide (PubChem CID 53118442) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide
PubChem CID53118442
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide
SMILESCCOc1ccc(-n2ccnc(NC(=O)c3ccc(C)cc3)c2=O)cc1
InChIInChI=1S/C20H19N3O3/c1-3-26-17-10-8-16(9-11-17)23-13-12-21-18(20(23)25)22-19(24)15-6-4-14(2)5-7-15/h4-13H,3H2,1-2H3,(H,21,22,24)
InChIKeyLYYPDMRNFOASLH-UHFFFAOYSA-N
XLogP3.19
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]benzamide
CID 53118437
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-2-carboxamide
CID 53118435
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-1,3-benzodioxole-5-carboxamide
CID 53118441
1-(4-ethoxyphenyl)-3-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]urea
CID 53118262
1-(4-ethoxyphenyl)-3-(3-oxo-4-phenylpyrazin-2-yl)urea
CID 53118323
N-[4-(2-ethylimidazol-1-yl)phenyl]-4-methylbenzamide
CID 12797145
N-[4-(3,4-dimethoxyphenyl)-3-oxopyrazin-2-yl]pyridine-4-carboxamide
CID 53118521
N-[4-(3,5-dimethylphenyl)-3-oxopyrazin-2-yl]-3,4,5-trimethoxybenzamide
CID 22425056
1-(4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyrazin-2-one
CID 20941568
2-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]sulfanyl-N-(3-methylphenyl)acetamide
CID 7386620
N-(3,5-dimethylphenyl)-2-[1-(4-ethoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 4184858
4-ethoxy-N-[4-(3-methylpyrazol-1-yl)phenyl]benzamide
CID 35590532

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide (CID 53118442) is N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide is CCOc1ccc(-n2ccnc(NC(=O)c3ccc(C)cc3)c2=O)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide?
The InChIKey is LYYPDMRNFOASLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-3-26-17-10-8-16(9-11-17)23-13-12-21-18(20(23)25)22-19(24)15-6-4-14(2)5-7-15/h4-13H,3H2,1-2H3,(H,21,22,24).
What are the key properties of N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide?
N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide has a molecular weight of 349.39 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenyl)-3-oxopyrazin-2-yl]-4-methylbenzamide is sourced from PubChem (CID 53118442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).