6-(N,2,4-trimethylanilino)pyrazine-2-carboxylic acid

C14H15N3O2 — CID 66449315

IUPAC6-(N,2,4-trimethylanilino)pyrazine-2-carboxylic acid
SMILESCc1ccc(N(C)c2cncc(C(=O)O)n2)c(C)c1
InChIInChI=1S/C14H15N3O2/c1-9-4-5-12(10(2)6-9)17(3)13-8-15-7-11(16-13)14(18)19/h4-8H,1-3H3,(H,18,19)
InChIKeyQGNJPNDUKOSFTP-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.56
Rot. Bonds3

About 6-(N,2,4-trimethylanilino)pyrazine-2-carboxylic acid

6-(N,2,4-trimethylanilino)pyrazine-2-carboxylic acid (PubChem CID 66449315) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-(N,2,4-trimethylanilino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(N,2,4-trimethylanilino)pyrazine-2-carboxylic acid
PubChem CID66449315
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name6-(N,2,4-trimethylanilino)pyrazine-2-carboxylic acid
SMILESCc1ccc(N(C)c2cncc(C(=O)O)n2)c(C)c1
InChIInChI=1S/C14H15N3O2/c1-9-4-5-12(10(2)6-9)17(3)13-8-15-7-11(16-13)14(18)19/h4-8H,1-3H3,(H,18,19)
InChIKeyQGNJPNDUKOSFTP-UHFFFAOYSA-N
XLogP2.56
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(N,2,4-trimethylanilino)pyrazin-2-yl]methanol
CID 66468648
2-N-(2,4-dimethylphenyl)-2-N,6-N-dimethylpyrazine-2,6-diamine
CID 80818315
4-methyl-2-(N,2,4-trimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 62764612
2-[(2,4-dimethylphenyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697007
5-chloro-6-(N,2,4-trimethylanilino)pyridine-3-carboxylic acid
CID 63537019
1-[5-(N,2,4-trimethylanilino)-2-pyridinyl]ethanone
CID 83120045
6-[2-hydroxyethyl(methyl)amino]pyrazine-2-carboxylic acid
CID 66456627
5-amino-2-(N,2,4-trimethylanilino)benzoic acid
CID 62001776
5-fluoro-2-(N,2,4-trimethylanilino)benzoic acid
CID 63536667
6-N-(2,4-dimethylphenyl)-6-N-methylpyridine-2,6-diamine
CID 80652152
6-chloro-N-(2,4-dimethylphenyl)-N-methylpyridin-2-amine
CID 63588619
2-N-(2,4-dimethylphenyl)-2-N-methylpyridine-2,5-diamine
CID 18419485

Frequently Asked Questions

What is the IUPAC name of 6-(N,2,4-trimethylanilino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(N,2,4-trimethylanilino)pyrazine-2-carboxylic acid (CID 66449315) is 6-(N,2,4-trimethylanilino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(N,2,4-trimethylanilino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(N,2,4-trimethylanilino)pyrazine-2-carboxylic acid is Cc1ccc(N(C)c2cncc(C(=O)O)n2)c(C)c1.
What is the InChIKey of 6-(N,2,4-trimethylanilino)pyrazine-2-carboxylic acid?
The InChIKey is QGNJPNDUKOSFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-4-5-12(10(2)6-9)17(3)13-8-15-7-11(16-13)14(18)19/h4-8H,1-3H3,(H,18,19).
What are the key properties of 6-(N,2,4-trimethylanilino)pyrazine-2-carboxylic acid?
6-(N,2,4-trimethylanilino)pyrazine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N,2,4-trimethylanilino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66449315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).