6-(4-butylanilino)pyrazine-2-carboxylic acid

C15H17N3O2 — CID 66457204

IUPAC6-(4-butylanilino)pyrazine-2-carboxylic acid
SMILESCCCCc1ccc(Nc2cncc(C(=O)O)n2)cc1
InChIInChI=1S/C15H17N3O2/c1-2-3-4-11-5-7-12(8-6-11)17-14-10-16-9-13(18-14)15(19)20/h5-10H,2-4H2,1H3,(H,17,18)(H,19,20)
InChIKeyZVCKIEWYEHIJCD-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.26
Rot. Bonds6

About 6-(4-butylanilino)pyrazine-2-carboxylic acid

6-(4-butylanilino)pyrazine-2-carboxylic acid (PubChem CID 66457204) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-(4-butylanilino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-butylanilino)pyrazine-2-carboxylic acid
PubChem CID66457204
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name6-(4-butylanilino)pyrazine-2-carboxylic acid
SMILESCCCCc1ccc(Nc2cncc(C(=O)O)n2)cc1
InChIInChI=1S/C15H17N3O2/c1-2-3-4-11-5-7-12(8-6-11)17-14-10-16-9-13(18-14)15(19)20/h5-10H,2-4H2,1H3,(H,17,18)(H,19,20)
InChIKeyZVCKIEWYEHIJCD-UHFFFAOYSA-N
XLogP3.26
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-butylanilino)pyridine-3-carboxylic acid
CID 43378526
2-(4-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79024050
5-(4-propylanilino)pyrazine-2-carboxylic acid
CID 107372323
2-(4-butylanilino)pyridine-4-carboxylic acid
CID 43244051
5-[(4-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684737
6-N-ethyl-2-N-(4-propylphenyl)pyrazine-2,6-diamine
CID 80778845
6-(3-methylanilino)pyrazine-2-carboxylic acid
CID 66455982
N-(6-anilino-3-pyridinyl)-2-(4-butylphenyl)acetamide
CID 110178545
2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423504
tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
bis(5-butylpyridine-2-carboxylic acid);copper(1+)
CID 42613105
1-(4-butylphenyl)-3-pyrazin-2-ylurea
CID 17263249

Frequently Asked Questions

What is the IUPAC name of 6-(4-butylanilino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(4-butylanilino)pyrazine-2-carboxylic acid (CID 66457204) is 6-(4-butylanilino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(4-butylanilino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(4-butylanilino)pyrazine-2-carboxylic acid is CCCCc1ccc(Nc2cncc(C(=O)O)n2)cc1.
What is the InChIKey of 6-(4-butylanilino)pyrazine-2-carboxylic acid?
The InChIKey is ZVCKIEWYEHIJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-3-4-11-5-7-12(8-6-11)17-14-10-16-9-13(18-14)15(19)20/h5-10H,2-4H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 6-(4-butylanilino)pyrazine-2-carboxylic acid?
6-(4-butylanilino)pyrazine-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butylanilino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66457204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).