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

C12H10N4O3 — CID 66458122

IUPAC6-(4-carbamoylanilino)pyrazine-2-carboxylic acid
SMILESNC(=O)c1ccc(Nc2cncc(C(=O)O)n2)cc1
InChIInChI=1S/C12H10N4O3/c13-11(17)7-1-3-8(4-2-7)15-10-6-14-5-9(16-10)12(18)19/h1-6H,(H2,13,17)(H,15,16)(H,18,19)
InChIKeyMNGHONLEZGTJOH-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.02
Rot. Bonds4

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

6-(4-carbamoylanilino)pyrazine-2-carboxylic acid (PubChem CID 66458122) has the molecular formula C12H10N4O3 and a molecular weight of 258.24 g/mol. Its IUPAC name is 6-(4-carbamoylanilino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-carbamoylanilino)pyrazine-2-carboxylic acid
PubChem CID66458122
Molecular FormulaC12H10N4O3
Molecular Weight258.24 g/mol
Exact Mass258.08
IUPAC Name6-(4-carbamoylanilino)pyrazine-2-carboxylic acid
SMILESNC(=O)c1ccc(Nc2cncc(C(=O)O)n2)cc1
InChIInChI=1S/C12H10N4O3/c13-11(17)7-1-3-8(4-2-7)15-10-6-14-5-9(16-10)12(18)19/h1-6H,(H2,13,17)(H,15,16)(H,18,19)
InChIKeyMNGHONLEZGTJOH-UHFFFAOYSA-N
XLogP1.02
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-(4-carbamoylanilino)pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-propan-2-yloxyanilino)pyrazine-2-carboxylic acid
CID 66456786
6-(3-methylanilino)pyrazine-2-carboxylic acid
CID 66455982
6-(4-butylanilino)pyrazine-2-carboxylic acid
CID 66457204
6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid
CID 66458124
6-(4-bromo-3-chloroanilino)pyrazine-2-carboxylic acid
CID 107613331
methyl 6-(4-aminoanilino)pyrazine-2-carboxylate
CID 66456957
acetic acid;4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]benzamide
CID 24760315
6-(2-cyanoanilino)pyrazine-2-carboxylic acid
CID 66457354
methyl 6-(4-methylanilino)pyrazine-2-carboxylate
CID 66455786
methyl 6-(4-acetamidoanilino)pyrazine-2-carboxylate
CID 66456378
pyrazine-2,6-dicarboxylic acid
CID 11601391
6-(4-aminoanilino)pyridine-3-carboxamide
CID 24711286

Frequently Asked Questions

What is the IUPAC name of 6-(4-carbamoylanilino)pyrazine-2-carboxylic acid?
The IUPAC name of 6-(4-carbamoylanilino)pyrazine-2-carboxylic acid (CID 66458122) is 6-(4-carbamoylanilino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-(4-carbamoylanilino)pyrazine-2-carboxylic acid?
The canonical SMILES for 6-(4-carbamoylanilino)pyrazine-2-carboxylic acid is NC(=O)c1ccc(Nc2cncc(C(=O)O)n2)cc1.
What is the InChIKey of 6-(4-carbamoylanilino)pyrazine-2-carboxylic acid?
The InChIKey is MNGHONLEZGTJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O3/c13-11(17)7-1-3-8(4-2-7)15-10-6-14-5-9(16-10)12(18)19/h1-6H,(H2,13,17)(H,15,16)(H,18,19).
What are the key properties of 6-(4-carbamoylanilino)pyrazine-2-carboxylic acid?
6-(4-carbamoylanilino)pyrazine-2-carboxylic acid has a molecular weight of 258.24 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-carbamoylanilino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 66458122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).