5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]pyrazine-2-carboxylic acid

C11H15N3O4 — CID 120689751

IUPAC5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(C)(CCO)NC(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C11H15N3O4/c1-11(2,3-4-15)14-9(16)7-5-13-8(6-12-7)10(17)18/h5-6,15H,3-4H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyWSRYLVZPULXIPJ-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.07
Rot. Bonds5

About 5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]pyrazine-2-carboxylic acid

5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120689751) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]pyrazine-2-carboxylic acid
PubChem CID120689751
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]pyrazine-2-carboxylic acid
SMILESCC(C)(CCO)NC(=O)c1cnc(C(=O)O)cn1
InChIInChI=1S/C11H15N3O4/c1-11(2,3-4-15)14-9(16)7-5-13-8(6-12-7)10(17)18/h5-6,15H,3-4H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyWSRYLVZPULXIPJ-UHFFFAOYSA-N
XLogP0.07
TPSA112.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]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

5-[[2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxopentan-2-yl]carbamoyl]pyrazine-2-carboxylic acid
CID 120689145
5-chloro-N-(2-methylpentan-2-yl)pyrazine-2-carboxamide
CID 107372186
N-(4-hydroxy-2-methylbutan-2-yl)-1-methylpyrazole-3-carboxamide
CID 103944808
5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685730
5-(2-methylpentan-2-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113231389
5-[(2,2-diethyl-4-hydroxybutyl)amino]pyrazine-2-carboxylic acid
CID 122054100
5-(2-tert-butylsulfanylethylcarbamoyl)pyrazine-2-carboxylic acid
CID 120688956
5-[(2-hydroxy-2,5-dimethylhexyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685725
6-bromo-N-(4-hydroxy-2-methylbutan-2-yl)pyridine-3-carboxamide
CID 115968711
5-(2-methylpentan-2-ylamino)pyrazine-2-carboxylic acid
CID 107372559
6-(2-methylbutan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 43427297
4-methyl-4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 62043932

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]pyrazine-2-carboxylic acid (CID 120689751) is 5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]pyrazine-2-carboxylic acid is CC(C)(CCO)NC(=O)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is WSRYLVZPULXIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-11(2,3-4-15)14-9(16)7-5-13-8(6-12-7)10(17)18/h5-6,15H,3-4H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]pyrazine-2-carboxylic acid?
5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxy-2-methylbutan-2-yl)carbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120689751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).