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

C13H17N3O4 — CID 43341368

IUPAC4-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)c2c[nH]c(=O)cn2)(C(=O)O)CC1
InChIInChI=1S/C13H17N3O4/c1-8-2-4-13(5-3-8,12(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)
InChIKeyBGLQYEJADMZRFB-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.53
Rot. Bonds3

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

4-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 43341368) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID43341368
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name4-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCC1CCC(NC(=O)c2c[nH]c(=O)cn2)(C(=O)O)CC1
InChIInChI=1S/C13H17N3O4/c1-8-2-4-13(5-3-8,12(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)
InChIKeyBGLQYEJADMZRFB-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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Related Compounds

1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28791111
1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43162945
4-Methyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341377
4-ethyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341495
4-Ethyl-1-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341504
1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341582
4-Methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 43360589
4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808066
2-cyclohexyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetic acid
CID 61015027
3-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61291640
2-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61294305
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 62526633

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 43341368) is 4-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is CC1CCC(NC(=O)c2c[nH]c(=O)cn2)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is BGLQYEJADMZRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-8-2-4-13(5-3-8,12(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 4-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-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 4-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 43341368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).