5-[(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)amino]pyrazine-2-carboxylic acid

C13H16N4O3 — CID 166349497

IUPAC5-[(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)amino]pyrazine-2-carboxylic acid
SMILESNC(=O)C1CC2CC(Nc3cnc(C(=O)O)cn3)C2C1
InChIInChI=1S/C13H16N4O3/c14-12(18)7-1-6-3-9(8(6)2-7)17-11-5-15-10(4-16-11)13(19)20/h4-9H,1-3H2,(H2,14,18)(H,16,17)(H,19,20)
InChIKeyZPPWJTRIJKSFKJ-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.49
Rot. Bonds4

About 5-[(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)amino]pyrazine-2-carboxylic acid

5-[(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)amino]pyrazine-2-carboxylic acid (PubChem CID 166349497) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 5-[(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)amino]pyrazine-2-carboxylic acid
PubChem CID166349497
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name5-[(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)amino]pyrazine-2-carboxylic acid
SMILESNC(=O)C1CC2CC(Nc3cnc(C(=O)O)cn3)C2C1
InChIInChI=1S/C13H16N4O3/c14-12(18)7-1-6-3-9(8(6)2-7)17-11-5-15-10(4-16-11)13(19)20/h4-9H,1-3H2,(H2,14,18)(H,16,17)(H,19,20)
InChIKeyZPPWJTRIJKSFKJ-UHFFFAOYSA-N
XLogP0.49
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)amino]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

Frequently Asked Questions

What is the IUPAC name of 5-[(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)amino]pyrazine-2-carboxylic acid (CID 166349497) is 5-[(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)amino]pyrazine-2-carboxylic acid is NC(=O)C1CC2CC(Nc3cnc(C(=O)O)cn3)C2C1.
What is the InChIKey of 5-[(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)amino]pyrazine-2-carboxylic acid?
The InChIKey is ZPPWJTRIJKSFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c14-12(18)7-1-6-3-9(8(6)2-7)17-11-5-15-10(4-16-11)13(19)20/h4-9H,1-3H2,(H2,14,18)(H,16,17)(H,19,20).
What are the key properties of 5-[(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)amino]pyrazine-2-carboxylic acid?
5-[(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)amino]pyrazine-2-carboxylic acid has a molecular weight of 276.30 g/mol, XLogP of 0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-carbamoyl-6-bicyclo[3.2.0]heptanyl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 166349497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).