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

C13H17N3O4 — CID 61294305

IUPAC2-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C13H17N3O4/c1-8-4-2-3-5-13(8,12(19)20)16-11(18)9-6-15-10(17)7-14-9/h6-8H,2-5H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyXHYPMFUAVRNZIZ-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.53
Rot. Bonds3

About 2-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

2-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 61294305) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID61294305
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name2-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(NC(=O)c1c[nH]c(=O)cn1)C(=O)O
InChIInChI=1S/C13H17N3O4/c1-8-4-2-3-5-13(8,12(19)20)16-11(18)9-6-15-10(17)7-14-9/h6-8H,2-5H2,1H3,(H,15,17)(H,16,18)(H,19,20)
InChIKeyXHYPMFUAVRNZIZ-UHFFFAOYSA-N
XLogP0.53
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 61294305) is 2-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1CCCCC1(NC(=O)c1c[nH]c(=O)cn1)C(=O)O.
What is the InChIKey of 2-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is XHYPMFUAVRNZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-8-4-2-3-5-13(8,12(19)20)16-11(18)9-6-15-10(17)7-14-9/h6-8H,2-5H2,1H3,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 2-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61294305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).