4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C12H15N3O4 — CID 60808066

IUPAC4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H15N3O4/c16-10-6-13-9(5-14-10)11(17)15-8-3-1-7(2-4-8)12(18)19/h5-8H,1-4H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyRNMIPJYJLXPIPI-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.14
Rot. Bonds3

About 4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 60808066) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID60808066
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)CC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H15N3O4/c16-10-6-13-9(5-14-10)11(17)15-8-3-1-7(2-4-8)12(18)19/h5-8H,1-4H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyRNMIPJYJLXPIPI-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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Related Compounds

1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28791111
1-(6-oxo-1H-pyrazine-3-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 43211215
4-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341368
4-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808388
2-cyclohexyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 61015027
3-[1-(6-oxo-1H-pyrazine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 61708047
3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63042026
4-[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]ethyl]heptanoic acid
CID 64343395
2-[1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexyl]acetic acid
CID 64672170
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64813118
2-methyl-6-[(6-oxo-1H-pyrazine-3-carbonyl)amino]heptanoic acid
CID 65285450
2-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 65880951

Frequently Asked Questions

What is the IUPAC name of 4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 60808066) is 4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)CC1)c1c[nH]c(=O)cn1.
What is the InChIKey of 4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is RNMIPJYJLXPIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-10-6-13-9(5-14-10)11(17)15-8-3-1-7(2-4-8)12(18)19/h5-8H,1-4H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(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 4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60808066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).