3-[[2-(3-methylphenoxy)acetyl]amino]pyrazine-2-carboxylic acid

C14H13N3O4 — CID 63261787

IUPAC3-[[2-(3-methylphenoxy)acetyl]amino]pyrazine-2-carboxylic acid
SMILESCc1cccc(OCC(=O)Nc2nccnc2C(=O)O)c1
InChIInChI=1S/C14H13N3O4/c1-9-3-2-4-10(7-9)21-8-11(18)17-13-12(14(19)20)15-5-6-16-13/h2-7H,8H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyHURGXPMOEYNYMY-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.50
Rot. Bonds5

About 3-[[2-(3-methylphenoxy)acetyl]amino]pyrazine-2-carboxylic acid

3-[[2-(3-methylphenoxy)acetyl]amino]pyrazine-2-carboxylic acid (PubChem CID 63261787) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 3-[[2-(3-methylphenoxy)acetyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(3-methylphenoxy)acetyl]amino]pyrazine-2-carboxylic acid
PubChem CID63261787
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name3-[[2-(3-methylphenoxy)acetyl]amino]pyrazine-2-carboxylic acid
SMILESCc1cccc(OCC(=O)Nc2nccnc2C(=O)O)c1
InChIInChI=1S/C14H13N3O4/c1-9-3-2-4-10(7-9)21-8-11(18)17-13-12(14(19)20)15-5-6-16-13/h2-7H,8H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyHURGXPMOEYNYMY-UHFFFAOYSA-N
XLogP1.50
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
3-methyl-5-[[2-(3-methylphenoxy)acetyl]amino]thiophene-2-carboxylic acid
CID 43356560
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
N-(2-fluorophenyl)-2-(3-methylphenoxy)acetamide
CID 723312
N-(3-aminophenyl)-2-(3-methylphenoxy)acetamide
CID 16789843
methyl 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 28638195
2-(3-methylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153755
N-(3-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110856684
2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 17140856
5-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-5-oxopentanoic acid
CID 4949760

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-methylphenoxy)acetyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[[2-(3-methylphenoxy)acetyl]amino]pyrazine-2-carboxylic acid (CID 63261787) is 3-[[2-(3-methylphenoxy)acetyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[[2-(3-methylphenoxy)acetyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[[2-(3-methylphenoxy)acetyl]amino]pyrazine-2-carboxylic acid is Cc1cccc(OCC(=O)Nc2nccnc2C(=O)O)c1.
What is the InChIKey of 3-[[2-(3-methylphenoxy)acetyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is HURGXPMOEYNYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-9-3-2-4-10(7-9)21-8-11(18)17-13-12(14(19)20)15-5-6-16-13/h2-7H,8H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 3-[[2-(3-methylphenoxy)acetyl]amino]pyrazine-2-carboxylic acid?
3-[[2-(3-methylphenoxy)acetyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-methylphenoxy)acetyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63261787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).