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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Related Compounds

1-[(5-chloropyrazine-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 107371425
6-chloro-N-(1-methylcyclobutyl)pyrazine-2-carboxamide
CID 103187308
1-[(5-fluoropyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 104785488
1-(quinoline-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 22712404
1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28779309
1-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 66377481
1-[(3-fluoropyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 64950656
1-[(4-chloroquinoline-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81165272
1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43239137
1-[(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119350659
methyl 1-(pyridine-2-carbonylamino)cyclohexane-1-carboxylate;1-(pyridine-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 162200373
1-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158519

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).