5-(4-propylanilino)pyrazine-2-carboxylic acid

C14H15N3O2 — CID 107372323

IUPAC5-(4-propylanilino)pyrazine-2-carboxylic acid
SMILESCCCc1ccc(Nc2cnc(C(=O)O)cn2)cc1
InChIInChI=1S/C14H15N3O2/c1-2-3-10-4-6-11(7-5-10)17-13-9-15-12(8-16-13)14(18)19/h4-9H,2-3H2,1H3,(H,16,17)(H,18,19)
InChIKeyARTXEJFSHCQYRK-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.87
Rot. Bonds5

About 5-(4-propylanilino)pyrazine-2-carboxylic acid

5-(4-propylanilino)pyrazine-2-carboxylic acid (PubChem CID 107372323) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-(4-propylanilino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-propylanilino)pyrazine-2-carboxylic acid
PubChem CID107372323
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-(4-propylanilino)pyrazine-2-carboxylic acid
SMILESCCCc1ccc(Nc2cnc(C(=O)O)cn2)cc1
InChIInChI=1S/C14H15N3O2/c1-2-3-10-4-6-11(7-5-10)17-13-9-15-12(8-16-13)14(18)19/h4-9H,2-3H2,1H3,(H,16,17)(H,18,19)
InChIKeyARTXEJFSHCQYRK-UHFFFAOYSA-N
XLogP2.87
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-propylphenyl)pyrazine-2,5-diamine
CID 80653384
5-[(4-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684737
6-(4-butylanilino)pyridine-3-carboxylic acid
CID 43378526
6-(4-butylanilino)pyrazine-2-carboxylic acid
CID 66457204
5-(4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284888
5-(4-ethylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109284871
N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281082
5-[3-(methoxymethyl)anilino]pyrazine-2-carboxylic acid
CID 107372372
5-[4-methyl-3-(trifluoromethyl)anilino]pyrazine-2-carboxylic acid
CID 107372402
5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284480
5-(4-ethylanilino)-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281597
5-(3,4-dicyanoanilino)pyrazine-2-carboxylic acid
CID 107791186

Frequently Asked Questions

What is the IUPAC name of 5-(4-propylanilino)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(4-propylanilino)pyrazine-2-carboxylic acid (CID 107372323) is 5-(4-propylanilino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(4-propylanilino)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(4-propylanilino)pyrazine-2-carboxylic acid is CCCc1ccc(Nc2cnc(C(=O)O)cn2)cc1.
What is the InChIKey of 5-(4-propylanilino)pyrazine-2-carboxylic acid?
The InChIKey is ARTXEJFSHCQYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-3-10-4-6-11(7-5-10)17-13-9-15-12(8-16-13)14(18)19/h4-9H,2-3H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-(4-propylanilino)pyrazine-2-carboxylic acid?
5-(4-propylanilino)pyrazine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propylanilino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 107372323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).