5-[2-(3-methoxy-4-methylphenyl)ethylamino]pyrazine-2-carboxylic acid

C15H17N3O3 — CID 122053945

IUPAC5-[2-(3-methoxy-4-methylphenyl)ethylamino]pyrazine-2-carboxylic acid
SMILESCOc1cc(CCNc2cnc(C(=O)O)cn2)ccc1C
InChIInChI=1S/C15H17N3O3/c1-10-3-4-11(7-13(10)21-2)5-6-16-14-9-17-12(8-18-14)15(19)20/h3-4,7-9H,5-6H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyUGDMMFSZCDFQGQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.15
Rot. Bonds6

About 5-[2-(3-methoxy-4-methylphenyl)ethylamino]pyrazine-2-carboxylic acid

5-[2-(3-methoxy-4-methylphenyl)ethylamino]pyrazine-2-carboxylic acid (PubChem CID 122053945) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-[2-(3-methoxy-4-methylphenyl)ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-methoxy-4-methylphenyl)ethylamino]pyrazine-2-carboxylic acid
PubChem CID122053945
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name5-[2-(3-methoxy-4-methylphenyl)ethylamino]pyrazine-2-carboxylic acid
SMILESCOc1cc(CCNc2cnc(C(=O)O)cn2)ccc1C
InChIInChI=1S/C15H17N3O3/c1-10-3-4-11(7-13(10)21-2)5-6-16-14-9-17-12(8-18-14)15(19)20/h3-4,7-9H,5-6H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyUGDMMFSZCDFQGQ-UHFFFAOYSA-N
XLogP2.15
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-(3-methoxy-4-methylphenyl)ethylamino]pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(3,4-dimethoxyphenyl)propylamino]pyrazine-2-carboxylic acid
CID 122053296
5-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685641
5-[2-(3-methoxyphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 107853484
5-[3-(3-ethoxy-4-methoxyphenyl)propylamino]pyrazine-2-carboxylic acid
CID 122053887
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N,N-diethylpyrazine-2-carboxamide
CID 109285752
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-methyl-N-phenylpyrazine-2-carboxamide
CID 109285764
[5-[2-(3,4-dimethoxyphenyl)ethylamino]pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109278454
5-[2-(3,4-dimethoxyphenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283227
N-(3,4-dimethoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283984
N-(2,4-dimethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284563
5-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylamino]pyrazine-2-carboxylic acid
CID 122055040
N-(3-chloro-4-methoxyphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283971

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxy-4-methylphenyl)ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[2-(3-methoxy-4-methylphenyl)ethylamino]pyrazine-2-carboxylic acid (CID 122053945) is 5-[2-(3-methoxy-4-methylphenyl)ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[2-(3-methoxy-4-methylphenyl)ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[2-(3-methoxy-4-methylphenyl)ethylamino]pyrazine-2-carboxylic acid is COc1cc(CCNc2cnc(C(=O)O)cn2)ccc1C.
What is the InChIKey of 5-[2-(3-methoxy-4-methylphenyl)ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is UGDMMFSZCDFQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-10-3-4-11(7-13(10)21-2)5-6-16-14-9-17-12(8-18-14)15(19)20/h3-4,7-9H,5-6H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 5-[2-(3-methoxy-4-methylphenyl)ethylamino]pyrazine-2-carboxylic acid?
5-[2-(3-methoxy-4-methylphenyl)ethylamino]pyrazine-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-methoxy-4-methylphenyl)ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122053945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).