3-(N-ethylanilino)pyrazine-2-carboxylic acid

C13H13N3O2 — CID 62710006

IUPAC3-(N-ethylanilino)pyrazine-2-carboxylic acid
SMILESCCN(c1ccccc1)c1nccnc1C(=O)O
InChIInChI=1S/C13H13N3O2/c1-2-16(10-6-4-3-5-7-10)12-11(13(17)18)14-8-9-15-12/h3-9H,2H2,1H3,(H,17,18)
InChIKeyZNCJZYGEPOZIMY-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.33
Rot. Bonds4

About 3-(N-ethylanilino)pyrazine-2-carboxylic acid

3-(N-ethylanilino)pyrazine-2-carboxylic acid (PubChem CID 62710006) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-(N-ethylanilino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(N-ethylanilino)pyrazine-2-carboxylic acid
PubChem CID62710006
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name3-(N-ethylanilino)pyrazine-2-carboxylic acid
SMILESCCN(c1ccccc1)c1nccnc1C(=O)O
InChIInChI=1S/C13H13N3O2/c1-2-16(10-6-4-3-5-7-10)12-11(13(17)18)14-8-9-15-12/h3-9H,2H2,1H3,(H,17,18)
InChIKeyZNCJZYGEPOZIMY-UHFFFAOYSA-N
XLogP2.33
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-butylanilino)pyrazine-2-carboxylic acid
CID 64584671
3-N-ethyl-3-N-phenylpyrazine-2,3-diamine
CID 102985234
3-[ethyl(2-methylbutyl)amino]pyrazine-2-carboxylic acid
CID 79470984
N-ethyl-3-(ethylaminomethyl)-N-phenylpyridin-2-amine
CID 62279792
3-methyl-N,N-diphenylpyrazin-2-amine
CID 523062
3-[methyl(pentan-3-yl)amino]pyrazine-2-carboxylic acid
CID 62701319
2-(N-ethylanilino)pyridine-3-carbonitrile
CID 24708158
4-N,6-N-diethyl-4-N,6-N-diphenylpyrimidine-4,5,6-triamine
CID 22539701
3-(1-aminoethyl)-N-ethyl-N-phenylpyridin-2-amine
CID 114055773
N-ethyl-4-(ethylaminomethyl)-3-fluoro-N-phenylpyridin-2-amine
CID 105388874
4-N,6-N-diethyl-5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine
CID 23478131
3-[bis(2-ethoxyethyl)amino]pyrazine-2-carboxylic acid
CID 82960478

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(N-ethylanilino)pyrazine-2-carboxylic acid (CID 62710006) is 3-(N-ethylanilino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(N-ethylanilino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(N-ethylanilino)pyrazine-2-carboxylic acid is CCN(c1ccccc1)c1nccnc1C(=O)O.
What is the InChIKey of 3-(N-ethylanilino)pyrazine-2-carboxylic acid?
The InChIKey is ZNCJZYGEPOZIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-2-16(10-6-4-3-5-7-10)12-11(13(17)18)14-8-9-15-12/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of 3-(N-ethylanilino)pyrazine-2-carboxylic acid?
3-(N-ethylanilino)pyrazine-2-carboxylic acid has a molecular weight of 243.27 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 62710006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).