5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid

C13H13N3O3 — CID 107372372

IUPAC5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid
SMILESCOCc1cccc(Nc2cnc(C(=O)O)cn2)c1
InChIInChI=1S/C13H13N3O3/c1-19-8-9-3-2-4-10(5-9)16-12-7-14-11(6-15-12)13(17)18/h2-7H,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyLYHQWDJLLJINDN-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.06
Rot. Bonds5

About 5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid

5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid (PubChem CID 107372372) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid
PubChem CID107372372
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid
SMILESCOCc1cccc(Nc2cnc(C(=O)O)cn2)c1
InChIInChI=1S/C13H13N3O3/c1-19-8-9-3-2-4-10(5-9)16-12-7-14-11(6-15-12)13(17)18/h2-7H,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyLYHQWDJLLJINDN-UHFFFAOYSA-N
XLogP2.06
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[3-(methoxymethyl)anilino]pyrazine-2-carboxylate
CID 66451042
5-amino-N-[3-(methoxymethyl)phenyl]pyridine-2-carboxamide
CID 81317223
4-amino-3-[3-(methoxymethyl)anilino]benzoic acid
CID 82784847
5-(4-propylanilino)pyrazine-2-carboxylic acid
CID 107372323
5-(3-acetamidoanilino)-N-benzylpyrazine-2-carboxamide
CID 109279750
methyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109282808
4-[3-(methoxymethyl)anilino]-3-methylbenzoic acid
CID 63212426
N-benzyl-N-methyl-5-(3-methylanilino)pyrazine-2-carboxamide
CID 109281070
5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 107853484
2-[3-(methoxymethyl)anilino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569682
2-[3-(methoxymethyl)anilino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306940
5-(3-methoxyanilino)-N-[(3-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109280308

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid (CID 107372372) is 5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid is COCc1cccc(Nc2cnc(C(=O)O)cn2)c1.
What is the InChIKey of 5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid?
The InChIKey is LYHQWDJLLJINDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-19-8-9-3-2-4-10(5-9)16-12-7-14-11(6-15-12)13(17)18/h2-7H,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid?
5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid has a molecular weight of 259.27 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 107372372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).