3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C12H15N3O4 — CID 63042026

IUPAC3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCC(C(=O)O)C1)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H15N3O4/c16-10-6-13-9(5-14-10)11(17)15-8-3-1-2-7(4-8)12(18)19/h5-8H,1-4H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyKVBOCRBXDCLMLT-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.14
Rot. Bonds3

About 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63042026) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63042026
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCCC(C(=O)O)C1)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H15N3O4/c16-10-6-13-9(5-14-10)11(17)15-8-3-1-2-7(4-8)12(18)19/h5-8H,1-4H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyKVBOCRBXDCLMLT-UHFFFAOYSA-N
XLogP0.14
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 63042026) is 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCCC(C(=O)O)C1)c1c[nH]c(=O)cn1.
What is the InChIKey of 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is KVBOCRBXDCLMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-10-6-13-9(5-14-10)11(17)15-8-3-1-2-7(4-8)12(18)19/h5-8H,1-4H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63042026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).