1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid

C15H23N3O3 — CID 115436121

IUPAC1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCCOc1cncc(NCC2(C(=O)O)CCCCC2)n1
InChIInChI=1S/C15H23N3O3/c1-2-8-21-13-10-16-9-12(18-13)17-11-15(14(19)20)6-4-3-5-7-15/h9-10H,2-8,11H2,1H3,(H,17,18)(H,19,20)
InChIKeyWWPAXWQJHPJZJX-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.71
Rot. Bonds7

About 1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid

1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 115436121) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID115436121
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
SMILESCCCOc1cncc(NCC2(C(=O)O)CCCCC2)n1
InChIInChI=1S/C15H23N3O3/c1-2-8-21-13-10-16-9-12(18-13)17-11-15(14(19)20)6-4-3-5-7-15/h9-10H,2-8,11H2,1H3,(H,17,18)(H,19,20)
InChIKeyWWPAXWQJHPJZJX-UHFFFAOYSA-N
XLogP2.71
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(6-propoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid
CID 115438744
1-[[(6-ethoxypyrazin-2-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115450341
1-[[(6-methoxypyrazin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309144
2-[1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclobutyl]acetic acid
CID 81162308
4-[[(6-ethoxypyrazin-2-yl)amino]methyl]oxane-4-carboxylic acid
CID 115438674
1-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]cycloheptane-1-carboxylic acid
CID 114474633
1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclobutane-1-carboxylic acid
CID 112636230
1-[[(6-methoxypyrazin-2-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441154
3-[[(6-propoxypyrazin-2-yl)amino]methyl]pentanoic acid
CID 81069018
2-cyclopropyl-2-[(6-propoxypyrazin-2-yl)amino]propanoic acid
CID 64669262
4-[[(6-ethoxypyrazin-2-yl)amino]methyl]oxane-4-carboxamide
CID 133430656
1-[[(6-ethylpyrimidin-4-yl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443640

Frequently Asked Questions

What is the IUPAC name of 1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid (CID 115436121) is 1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid is CCCOc1cncc(NCC2(C(=O)O)CCCCC2)n1.
What is the InChIKey of 1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is WWPAXWQJHPJZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-8-21-13-10-16-9-12(18-13)17-11-15(14(19)20)6-4-3-5-7-15/h9-10H,2-8,11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid?
1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(6-propoxypyrazin-2-yl)amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115436121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).