6-(3-methylanilino)pyrazine-2-carboxylic acid

C12H11N3O2 — CID 66455982

IUPAC6-(3-methylanilino)pyrazine-2-carboxylic acid
SMILESCc1cccc(Nc2cncc(C(=O)O)n2)c1
InChIInChI=1S/C12H11N3O2/c1-8-3-2-4-9(5-8)14-11-7-13-6-10(15-11)12(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyBGIRXDLNYBEFSR-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.23
Rot. Bonds3

About 6-(3-methylanilino)pyrazine-2-carboxylic acid

6-(3-methylanilino)pyrazine-2-carboxylic acid (PubChem CID 66455982) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 6-(3-methylanilino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-methylanilino)pyrazine-2-carboxylic acid
PubChem CID66455982
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name6-(3-methylanilino)pyrazine-2-carboxylic acid
SMILESCc1cccc(Nc2cncc(C(=O)O)n2)c1
InChIInChI=1S/C12H11N3O2/c1-8-3-2-4-9(5-8)14-11-7-13-6-10(15-11)12(16)17/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKeyBGIRXDLNYBEFSR-UHFFFAOYSA-N
XLogP2.23
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(3-methylanilino)pyrimidine-4-carboxylic acid
CID 82293662
6-N-methyl-2-N-(3-methylphenyl)pyrazine-2,6-diamine
CID 80755462
6-(4-bromo-3-chloroanilino)pyrazine-2-carboxylic acid
CID 107613331
6-(4-carbamoylanilino)pyrazine-2-carboxylic acid
CID 66458122
6-(2-chloro-3-methylanilino)pyrazine-2-carboxylic acid
CID 114250898
6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid
CID 66458124
6-(4-propan-2-yloxyanilino)pyrazine-2-carboxylic acid
CID 66456786
6-(2,3-dichloroanilino)pyrazine-2-carboxylic acid
CID 66458555
methyl 6-[3-(methoxymethyl)anilino]pyrazine-2-carboxylate
CID 66451042
6-(4-butylanilino)pyrazine-2-carboxylic acid
CID 66457204
methyl 6-(4-methylanilino)pyrazine-2-carboxylate
CID 66455786
2-methyl-4-N-(3-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876864

Frequently Asked Questions

What is the IUPAC name of 6-(3-methylanilino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(3-methylanilino)pyrazine-2-carboxylic acid (CID 66455982) is 6-(3-methylanilino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(3-methylanilino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(3-methylanilino)pyrazine-2-carboxylic acid is Cc1cccc(Nc2cncc(C(=O)O)n2)c1.
What is the InChIKey of 6-(3-methylanilino)pyrazine-2-carboxylic acid?
The InChIKey is BGIRXDLNYBEFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-8-3-2-4-9(5-8)14-11-7-13-6-10(15-11)12(16)17/h2-7H,1H3,(H,14,15)(H,16,17).
What are the key properties of 6-(3-methylanilino)pyrazine-2-carboxylic acid?
6-(3-methylanilino)pyrazine-2-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylanilino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66455982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).