6-[1-(2-methylphenyl)ethylamino]pyrazine-2-carboxylic acid

C14H15N3O2 — CID 66449868

IUPAC6-[1-(2-methylphenyl)ethylamino]pyrazine-2-carboxylic acid
SMILESCc1ccccc1C(C)Nc1cncc(C(=O)O)n1
InChIInChI=1S/C14H15N3O2/c1-9-5-3-4-6-11(9)10(2)16-13-8-15-7-12(17-13)14(18)19/h3-8,10H,1-2H3,(H,16,17)(H,18,19)
InChIKeyGPGVYQQTEGUDSH-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.66
Rot. Bonds4

About 6-[1-(2-methylphenyl)ethylamino]pyrazine-2-carboxylic acid

6-[1-(2-methylphenyl)ethylamino]pyrazine-2-carboxylic acid (PubChem CID 66449868) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-[1-(2-methylphenyl)ethylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[1-(2-methylphenyl)ethylamino]pyrazine-2-carboxylic acid
PubChem CID66449868
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name6-[1-(2-methylphenyl)ethylamino]pyrazine-2-carboxylic acid
SMILESCc1ccccc1C(C)Nc1cncc(C(=O)O)n1
InChIInChI=1S/C14H15N3O2/c1-9-5-3-4-6-11(9)10(2)16-13-8-15-7-12(17-13)14(18)19/h3-8,10H,1-2H3,(H,16,17)(H,18,19)
InChIKeyGPGVYQQTEGUDSH-UHFFFAOYSA-N
XLogP2.66
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 60709058
6-(2-chloro-3-methylanilino)pyrazine-2-carboxylic acid
CID 114250898
6-(1-cyclopentylethylamino)pyrazine-2-carboxylic acid
CID 66450152
2-[1-[(6-phenylpyrazin-2-yl)amino]ethyl]benzamide
CID 175794373
3-[1-(2-methylphenyl)ethylamino]propanoic acid
CID 43087225
6-[4-(furan-2-yl)butan-2-ylamino]pyrazine-2-carboxylic acid
CID 66449084
6-methyl-N-[1-(2-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 80718748
3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369381
6-[1-(2-methoxy-5-methylphenyl)ethylamino]pyridine-2-carboxylic acid
CID 122052773
3-chloro-2-[1-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107062092
2-N-[1-(2-chlorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 80802030
2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 80802046

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-methylphenyl)ethylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[1-(2-methylphenyl)ethylamino]pyrazine-2-carboxylic acid (CID 66449868) is 6-[1-(2-methylphenyl)ethylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[1-(2-methylphenyl)ethylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[1-(2-methylphenyl)ethylamino]pyrazine-2-carboxylic acid is Cc1ccccc1C(C)Nc1cncc(C(=O)O)n1.
What is the InChIKey of 6-[1-(2-methylphenyl)ethylamino]pyrazine-2-carboxylic acid?
The InChIKey is GPGVYQQTEGUDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-5-3-4-6-11(9)10(2)16-13-8-15-7-12(17-13)14(18)19/h3-8,10H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 6-[1-(2-methylphenyl)ethylamino]pyrazine-2-carboxylic acid?
6-[1-(2-methylphenyl)ethylamino]pyrazine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-methylphenyl)ethylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 66449868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).