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

C12H15N3O4 — CID 28791111

IUPAC1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H15N3O4/c16-9-7-13-8(6-14-9)10(17)15-12(11(18)19)4-2-1-3-5-12/h6-7H,1-5H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyDXCQEXKXKSIQSI-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.29
Rot. Bonds3

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

1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 28791111) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID28791111
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H15N3O4/c16-9-7-13-8(6-14-9)10(17)15-12(11(18)19)4-2-1-3-5-12/h6-7H,1-5H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyDXCQEXKXKSIQSI-UHFFFAOYSA-N
XLogP0.29
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 ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid
CID 28789884
(2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid
CID 28789886
1-[(2-Oxo-1,3-dihydroimidazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28791141
7-[(6-oxo-1H-pyrazine-3-carbonyl)amino]heptanoic acid
CID 28791145
1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43162945
1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid
CID 43211109
4-methyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341368
4-ethyl-1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341495
1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43341582
2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]hexanoic acid
CID 43469877
2-methyl-2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]pentanoic acid
CID 43619103
4-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808066

Frequently Asked Questions

What is the IUPAC name of 1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 28791111) is 1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)c1c[nH]c(=O)cn1.
What is the InChIKey of 1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is DXCQEXKXKSIQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-9-7-13-8(6-14-9)10(17)15-12(11(18)19)4-2-1-3-5-12/h6-7H,1-5H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-oxo-1H-pyrazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 28791111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).