5-[1-(3,4-dimethylphenyl)ethylamino]pyrazine-2-carboxylic acid

C15H17N3O2 — CID 122047926

IUPAC5-[1-(3,4-dimethylphenyl)ethylamino]pyrazine-2-carboxylic acid
SMILESCc1ccc(C(C)Nc2cnc(C(=O)O)cn2)cc1C
InChIInChI=1S/C15H17N3O2/c1-9-4-5-12(6-10(9)2)11(3)18-14-8-16-13(7-17-14)15(19)20/h4-8,11H,1-3H3,(H,17,18)(H,19,20)
InChIKeyQOYQUVZXWVSRMN-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.96
Rot. Bonds4

About 5-[1-(3,4-dimethylphenyl)ethylamino]pyrazine-2-carboxylic acid

5-[1-(3,4-dimethylphenyl)ethylamino]pyrazine-2-carboxylic acid (PubChem CID 122047926) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-[1-(3,4-dimethylphenyl)ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(3,4-dimethylphenyl)ethylamino]pyrazine-2-carboxylic acid
PubChem CID122047926
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-[1-(3,4-dimethylphenyl)ethylamino]pyrazine-2-carboxylic acid
SMILESCc1ccc(C(C)Nc2cnc(C(=O)O)cn2)cc1C
InChIInChI=1S/C15H17N3O2/c1-9-4-5-12(6-10(9)2)11(3)18-14-8-16-13(7-17-14)15(19)20/h4-8,11H,1-3H3,(H,17,18)(H,19,20)
InChIKeyQOYQUVZXWVSRMN-UHFFFAOYSA-N
XLogP2.96
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(4-propoxyphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 122053445
5-[1-(2-ethyl-3-oxo-4H-1,4-benzoxazin-7-yl)ethylamino]pyrazine-2-carboxylic acid
CID 122054102
5-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167745164
5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid
CID 82949530
5-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrazine-2-carboxylic acid
CID 122053579
5-[[1-(methylamino)-1-oxopropan-2-yl]amino]pyrazine-2-carboxylic acid
CID 107372363
5-[2-(3-methoxy-4-methylphenyl)ethylamino]pyrazine-2-carboxylic acid
CID 122053945
ethyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109280917
N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107378513
5-(4-hydroxypentylamino)pyrazine-2-carboxylic acid
CID 106136489
5-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid
CID 107372454
5-[4-methyl-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid
CID 107372402

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,4-dimethylphenyl)ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[1-(3,4-dimethylphenyl)ethylamino]pyrazine-2-carboxylic acid (CID 122047926) is 5-[1-(3,4-dimethylphenyl)ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[1-(3,4-dimethylphenyl)ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[1-(3,4-dimethylphenyl)ethylamino]pyrazine-2-carboxylic acid is Cc1ccc(C(C)Nc2cnc(C(=O)O)cn2)cc1C.
What is the InChIKey of 5-[1-(3,4-dimethylphenyl)ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is QOYQUVZXWVSRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-4-5-12(6-10(9)2)11(3)18-14-8-16-13(7-17-14)15(19)20/h4-8,11H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 5-[1-(3,4-dimethylphenyl)ethylamino]pyrazine-2-carboxylic acid?
5-[1-(3,4-dimethylphenyl)ethylamino]pyrazine-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,4-dimethylphenyl)ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122047926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).