5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid

C14H15N3O3 — CID 107853484

IUPAC5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid
SMILESCOc1cccc(CCNc2cnc(C(=O)O)cn2)c1
InChIInChI=1S/C14H15N3O3/c1-20-11-4-2-3-10(7-11)5-6-15-13-9-16-12(8-17-13)14(18)19/h2-4,7-9H,5-6H2,1H3,(H,15,17)(H,18,19)
InChIKeyIJUZOJHVKRORTJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.84
Rot. Bonds6

About 5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid

5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid (PubChem CID 107853484) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid
PubChem CID107853484
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid
SMILESCOc1cccc(CCNc2cnc(C(=O)O)cn2)c1
InChIInChI=1S/C14H15N3O3/c1-20-11-4-2-3-10(7-11)5-6-15-13-9-16-12(8-17-13)14(18)19/h2-4,7-9H,5-6H2,1H3,(H,15,17)(H,18,19)
InChIKeyIJUZOJHVKRORTJ-UHFFFAOYSA-N
XLogP1.84
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(3-methoxy-4-methylphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 122053945
5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109272575
5-[3-(dimethylamino)propylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109277930
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 104861065
(2-ethylpiperidin-1-yl)-[5-[2-(3-methoxyphenyl)ethylamino]pyrazin-2-yl]methanone
CID 109284789
N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282289
5-[3-(3,4-dimethoxyphenyl)propylamino]pyrazine-2-carboxylic acid
CID 122053296
6-[3-(3-methoxyphenyl)propylamino]pyridine-2-carboxylic acid
CID 122053549
5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109281680
5-[2-(3-methoxyphenyl)ethylamino]furan-2-carboxylic acid
CID 114009306
5-(2,6-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284776
N-[6-[2-(3-methoxyphenyl)ethylamino]-3-pyridinyl]-2-methylpropanamide
CID 113013416

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid (CID 107853484) is 5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid is COc1cccc(CCNc2cnc(C(=O)O)cn2)c1.
What is the InChIKey of 5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is IJUZOJHVKRORTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-20-11-4-2-3-10(7-11)5-6-15-13-9-16-12(8-17-13)14(18)19/h2-4,7-9H,5-6H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid?
5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 107853484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).