3-amino-6-(6-oxo-1H-pyridin-3-yl)-5-phenylpyrazine-2-carboxylic acid

C16H12N4O3 — CID 69102420

IUPAC3-amino-6-(6-oxo-1H-pyridin-3-yl)-5-phenylpyrazine-2-carboxylic acid
SMILESNc1nc(-c2ccccc2)c(-c2ccc(=O)[nH]c2)nc1C(=O)O
InChIInChI=1S/C16H12N4O3/c17-15-14(16(22)23)19-13(10-6-7-11(21)18-8-10)12(20-15)9-4-2-1-3-5-9/h1-8H,(H2,17,20)(H,18,21)(H,22,23)
InChIKeyJDTRTLZXBXAISX-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.78
Rot. Bonds3

About 3-amino-6-(6-oxo-1H-pyridin-3-yl)-5-phenylpyrazine-2-carboxylic acid

3-amino-6-(6-oxo-1H-pyridin-3-yl)-5-phenylpyrazine-2-carboxylic acid (PubChem CID 69102420) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 3-amino-6-(6-oxo-1H-pyridin-3-yl)-5-phenylpyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-(6-oxo-1H-pyridin-3-yl)-5-phenylpyrazine-2-carboxylic acid
PubChem CID69102420
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC Name3-amino-6-(6-oxo-1H-pyridin-3-yl)-5-phenylpyrazine-2-carboxylic acid
SMILESNc1nc(-c2ccccc2)c(-c2ccc(=O)[nH]c2)nc1C(=O)O
InChIInChI=1S/C16H12N4O3/c17-15-14(16(22)23)19-13(10-6-7-11(21)18-8-10)12(20-15)9-4-2-1-3-5-9/h1-8H,(H2,17,20)(H,18,21)(H,22,23)
InChIKeyJDTRTLZXBXAISX-UHFFFAOYSA-N
XLogP1.78
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-6-(6-oxo-1H-pyridin-3-yl)-5-phenylpyrazine-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

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(6-oxo-1H-pyridin-3-yl)-5-phenylpyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-6-(6-oxo-1H-pyridin-3-yl)-5-phenylpyrazine-2-carboxylic acid (CID 69102420) is 3-amino-6-(6-oxo-1H-pyridin-3-yl)-5-phenylpyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-(6-oxo-1H-pyridin-3-yl)-5-phenylpyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-(6-oxo-1H-pyridin-3-yl)-5-phenylpyrazine-2-carboxylic acid is Nc1nc(-c2ccccc2)c(-c2ccc(=O)[nH]c2)nc1C(=O)O.
What is the InChIKey of 3-amino-6-(6-oxo-1H-pyridin-3-yl)-5-phenylpyrazine-2-carboxylic acid?
The InChIKey is JDTRTLZXBXAISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c17-15-14(16(22)23)19-13(10-6-7-11(21)18-8-10)12(20-15)9-4-2-1-3-5-9/h1-8H,(H2,17,20)(H,18,21)(H,22,23).
What are the key properties of 3-amino-6-(6-oxo-1H-pyridin-3-yl)-5-phenylpyrazine-2-carboxylic acid?
3-amino-6-(6-oxo-1H-pyridin-3-yl)-5-phenylpyrazine-2-carboxylic acid has a molecular weight of 308.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(6-oxo-1H-pyridin-3-yl)-5-phenylpyrazine-2-carboxylic acid is sourced from PubChem (CID 69102420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).