methyl 6-[(3-methylcyclohexyl)methoxy]pyrazine-2-carboxylate

C14H20N2O3 — CID 114197051

IUPACmethyl 6-[(3-methylcyclohexyl)methoxy]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(OCC2CCCC(C)C2)n1
InChIInChI=1S/C14H20N2O3/c1-10-4-3-5-11(6-10)9-19-13-8-15-7-12(16-13)14(17)18-2/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyYVMRJMQKWMDRDQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.47
Rot. Bonds4

About methyl 6-[(3-methylcyclohexyl)methoxy]pyrazine-2-carboxylate

methyl 6-[(3-methylcyclohexyl)methoxy]pyrazine-2-carboxylate (PubChem CID 114197051) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 6-[(3-methylcyclohexyl)methoxy]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3-methylcyclohexyl)methoxy]pyrazine-2-carboxylate
PubChem CID114197051
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 6-[(3-methylcyclohexyl)methoxy]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(OCC2CCCC(C)C2)n1
InChIInChI=1S/C14H20N2O3/c1-10-4-3-5-11(6-10)9-19-13-8-15-7-12(16-13)14(17)18-2/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyYVMRJMQKWMDRDQ-UHFFFAOYSA-N
XLogP2.47
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-[(3-methylcyclohexyl)methoxy]pyrazine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3-methylcyclohexyl)methoxy]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(3-methylcyclohexyl)methoxy]pyrazine-2-carboxylate (CID 114197051) is methyl 6-[(3-methylcyclohexyl)methoxy]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(3-methylcyclohexyl)methoxy]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(3-methylcyclohexyl)methoxy]pyrazine-2-carboxylate is COC(=O)c1cncc(OCC2CCCC(C)C2)n1.
What is the InChIKey of methyl 6-[(3-methylcyclohexyl)methoxy]pyrazine-2-carboxylate?
The InChIKey is YVMRJMQKWMDRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-4-3-5-11(6-10)9-19-13-8-15-7-12(16-13)14(17)18-2/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of methyl 6-[(3-methylcyclohexyl)methoxy]pyrazine-2-carboxylate?
methyl 6-[(3-methylcyclohexyl)methoxy]pyrazine-2-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3-methylcyclohexyl)methoxy]pyrazine-2-carboxylate is sourced from PubChem (CID 114197051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).