3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazine-2-carboxylic acid

C13H12N4O4 — CID 63262078

IUPAC3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESCc1cc(C)c(C(=O)Nc2nccnc2C(=O)O)c(=O)[nH]1
InChIInChI=1S/C13H12N4O4/c1-6-5-7(2)16-11(18)8(6)12(19)17-10-9(13(20)21)14-3-4-15-10/h3-5H,1-2H3,(H,16,18)(H,20,21)(H,15,17,19)
InChIKeyXSRPAEVAHJVZCN-UHFFFAOYSA-N
MW288.26 g/mol
LogP0.73
Rot. Bonds3

About 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazine-2-carboxylic acid

3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazine-2-carboxylic acid (PubChem CID 63262078) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazine-2-carboxylic acid
PubChem CID63262078
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazine-2-carboxylic acid
SMILESCc1cc(C)c(C(=O)Nc2nccnc2C(=O)O)c(=O)[nH]1
InChIInChI=1S/C13H12N4O4/c1-6-5-7(2)16-11(18)8(6)12(19)17-10-9(13(20)21)14-3-4-15-10/h3-5H,1-2H3,(H,16,18)(H,20,21)(H,15,17,19)
InChIKeyXSRPAEVAHJVZCN-UHFFFAOYSA-N
XLogP0.73
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazine-2-carboxylic acid (CID 63262078) is 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazine-2-carboxylic acid is Cc1cc(C)c(C(=O)Nc2nccnc2C(=O)O)c(=O)[nH]1.
What is the InChIKey of 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is XSRPAEVAHJVZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c1-6-5-7(2)16-11(18)8(6)12(19)17-10-9(13(20)21)14-3-4-15-10/h3-5H,1-2H3,(H,16,18)(H,20,21)(H,15,17,19).
What are the key properties of 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazine-2-carboxylic acid?
3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 288.26 g/mol, XLogP of 0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 63262078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).