5-[[1-(2-methoxyethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid

C15H23N3O3 — CID 122055100

IUPAC5-[[1-(2-methoxyethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid
SMILESCOCCC1(CNc2cnc(C(=O)O)cn2)CCCCC1
InChIInChI=1S/C15H23N3O3/c1-21-8-7-15(5-3-2-4-6-15)11-18-13-10-16-12(9-17-13)14(19)20/h9-10H,2-8,11H2,1H3,(H,17,18)(H,19,20)
InChIKeySAJCSLOOGBSXDU-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.57
Rot. Bonds7

About 5-[[1-(2-methoxyethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid

5-[[1-(2-methoxyethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid (PubChem CID 122055100) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-[[1-(2-methoxyethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(2-methoxyethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid
PubChem CID122055100
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name5-[[1-(2-methoxyethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid
SMILESCOCCC1(CNc2cnc(C(=O)O)cn2)CCCCC1
InChIInChI=1S/C15H23N3O3/c1-21-8-7-15(5-3-2-4-6-15)11-18-13-10-16-12(9-17-13)14(19)20/h9-10H,2-8,11H2,1H3,(H,17,18)(H,19,20)
InChIKeySAJCSLOOGBSXDU-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[1-(2-methoxyethyl)cyclohexyl]methylamino]pyrazine-2-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

6-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid
CID 122048895
5-[(1-methoxycarbonylcyclohexyl)methylamino]pyrazine-2-carboxylic acid
CID 122054843
5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid
CID 115455525
5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid
CID 83117218
5-chloro-2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]pyridine-4-carboxylic acid
CID 114112972
5-[(2-methoxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
CID 104765944
6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103794664
N-[[1-(2-methoxyethyl)cyclohexyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120972263
5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid
CID 122053882
N-cyclopentyl-5-(2-methoxyethylamino)pyrazine-2-carboxamide
CID 109273887
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-5-nitropyridin-2-amine
CID 103794691
3-[[1-(2-methoxyethyl)cyclohexyl]methylcarbamoylamino]propanoic acid
CID 122010715

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-methoxyethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[1-(2-methoxyethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid (CID 122055100) is 5-[[1-(2-methoxyethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(2-methoxyethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(2-methoxyethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid is COCCC1(CNc2cnc(C(=O)O)cn2)CCCCC1.
What is the InChIKey of 5-[[1-(2-methoxyethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid?
The InChIKey is SAJCSLOOGBSXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-21-8-7-15(5-3-2-4-6-15)11-18-13-10-16-12(9-17-13)14(19)20/h9-10H,2-8,11H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 5-[[1-(2-methoxyethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid?
5-[[1-(2-methoxyethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-methoxyethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122055100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).