1-[(6-chloropyrazine-2-carbonyl)amino]cyclohexane-1-carboxylic acid

C12H14ClN3O3 — CID 114035166

IUPAC1-[(6-chloropyrazine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1cncc(Cl)n1
InChIInChI=1S/C12H14ClN3O3/c13-9-7-14-6-8(15-9)10(17)16-12(11(18)19)4-2-1-3-5-12/h6-7H,1-5H2,(H,16,17)(H,18,19)
InChIKeyFNIZSVKSXZBOIX-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.65
Rot. Bonds3

About 1-[(6-chloropyrazine-2-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[(6-chloropyrazine-2-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 114035166) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.71 g/mol. Its IUPAC name is 1-[(6-chloropyrazine-2-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-chloropyrazine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID114035166
Molecular FormulaC12H14ClN3O3
Molecular Weight283.71 g/mol
Exact Mass283.07
IUPAC Name1-[(6-chloropyrazine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1cncc(Cl)n1
InChIInChI=1S/C12H14ClN3O3/c13-9-7-14-6-8(15-9)10(17)16-12(11(18)19)4-2-1-3-5-12/h6-7H,1-5H2,(H,16,17)(H,18,19)
InChIKeyFNIZSVKSXZBOIX-UHFFFAOYSA-N
XLogP1.65
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloropyrazine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(6-chloropyrazine-2-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 114035166) is 1-[(6-chloropyrazine-2-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-chloropyrazine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(6-chloropyrazine-2-carbonyl)amino]cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)c1cncc(Cl)n1.
What is the InChIKey of 1-[(6-chloropyrazine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is FNIZSVKSXZBOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c13-9-7-14-6-8(15-9)10(17)16-12(11(18)19)4-2-1-3-5-12/h6-7H,1-5H2,(H,16,17)(H,18,19).
What are the key properties of 1-[(6-chloropyrazine-2-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[(6-chloropyrazine-2-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 283.71 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloropyrazine-2-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114035166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).