2-[3-(2-ethylanilino)-6-methyl-2-oxopyrazin-1-yl]acetic acid

C15H17N3O3 — CID 68561631

IUPAC2-[3-(2-ethylanilino)-6-methyl-2-oxopyrazin-1-yl]acetic acid
SMILESCCc1ccccc1Nc1ncc(C)n(CC(=O)O)c1=O
InChIInChI=1S/C15H17N3O3/c1-3-11-6-4-5-7-12(11)17-14-15(21)18(9-13(19)20)10(2)8-16-14/h4-8H,3,9H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyRZJHRTNWHZLEAP-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.94
Rot. Bonds5

About 2-[3-(2-ethylanilino)-6-methyl-2-oxopyrazin-1-yl]acetic acid

2-[3-(2-ethylanilino)-6-methyl-2-oxopyrazin-1-yl]acetic acid (PubChem CID 68561631) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[3-(2-ethylanilino)-6-methyl-2-oxopyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-ethylanilino)-6-methyl-2-oxopyrazin-1-yl]acetic acid
PubChem CID68561631
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[3-(2-ethylanilino)-6-methyl-2-oxopyrazin-1-yl]acetic acid
SMILESCCc1ccccc1Nc1ncc(C)n(CC(=O)O)c1=O
InChIInChI=1S/C15H17N3O3/c1-3-11-6-4-5-7-12(11)17-14-15(21)18(9-13(19)20)10(2)8-16-14/h4-8H,3,9H2,1-2H3,(H,16,17)(H,19,20)
InChIKeyRZJHRTNWHZLEAP-UHFFFAOYSA-N
XLogP1.94
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid
CID 18621230
2-[5-[[(2S)-2-(methylamino)propanoyl]amino]-6-oxo-2-phenylpyrimidin-1-yl]acetic acid
CID 91284759
1-[6-(2-ethylanilino)-3-pyridinyl]-3-phenylurea
CID 113017398
2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109314288
2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
CID 157270560
3-N-(2-ethylphenyl)pyrazine-2,3-diamine
CID 102985203
4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 22544115
3-bromo-N-(2-ethylphenyl)pyridin-2-amine
CID 55219347
2-[3-[[2,2-difluoro-2-(1-hydroxy-2H-pyridin-6-yl)ethyl]amino]-6-methyl-2-oxopyrazin-1-yl]acetic acid
CID 162577885
N-(2-ethylphenyl)-2-(1-methyl-4-oxo-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl)acetamide
CID 53061514
N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[2-(2-methylphenyl)ethylamino]-2-oxopyrazin-1-yl]acetamide;2,2,2-trifluoroacetic acid
CID 18671909
N-(2-ethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 15985074

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethylanilino)-6-methyl-2-oxopyrazin-1-yl]acetic acid?
The IUPAC name of 2-[3-(2-ethylanilino)-6-methyl-2-oxopyrazin-1-yl]acetic acid (CID 68561631) is 2-[3-(2-ethylanilino)-6-methyl-2-oxopyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-ethylanilino)-6-methyl-2-oxopyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2-ethylanilino)-6-methyl-2-oxopyrazin-1-yl]acetic acid is CCc1ccccc1Nc1ncc(C)n(CC(=O)O)c1=O.
What is the InChIKey of 2-[3-(2-ethylanilino)-6-methyl-2-oxopyrazin-1-yl]acetic acid?
The InChIKey is RZJHRTNWHZLEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-11-6-4-5-7-12(11)17-14-15(21)18(9-13(19)20)10(2)8-16-14/h4-8H,3,9H2,1-2H3,(H,16,17)(H,19,20).
What are the key properties of 2-[3-(2-ethylanilino)-6-methyl-2-oxopyrazin-1-yl]acetic acid?
2-[3-(2-ethylanilino)-6-methyl-2-oxopyrazin-1-yl]acetic acid has a molecular weight of 287.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethylanilino)-6-methyl-2-oxopyrazin-1-yl]acetic acid is sourced from PubChem (CID 68561631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).