methyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate

C14H21N3O2 — CID 66455933

IUPACmethyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCC2CCC(C)CC2)n1
InChIInChI=1S/C14H21N3O2/c1-10-3-5-11(6-4-10)7-16-13-9-15-8-12(17-13)14(18)19-2/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyYAORFVFLKSHRDR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.50
Rot. Bonds4

About methyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate

methyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate (PubChem CID 66455933) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate
PubChem CID66455933
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(NCC2CCC(C)CC2)n1
InChIInChI=1S/C14H21N3O2/c1-10-3-5-11(6-4-10)7-16-13-9-15-8-12(17-13)14(18)19-2/h8-11H,3-7H2,1-2H3,(H,16,17)
InChIKeyYAORFVFLKSHRDR-UHFFFAOYSA-N
XLogP2.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-[(4-methylcyclohexyl)methylamino]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

Related Compounds

methyl 6-(oxan-4-ylmethylamino)pyrazine-2-carboxylate
CID 66457320
methyl 6-(2-cyclopentylethylamino)pyrazine-2-carboxylate
CID 66456697
methyl 6-(thiolan-2-ylmethylamino)pyrazine-2-carboxylate
CID 80585250
6-hydrazinyl-N-[(4-methylcyclohexyl)methyl]pyrazin-2-amine
CID 80914019
methyl 6-[(1-methylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate
CID 66457311
methyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate
CID 66457492
3-[(6-methoxycarbonylpyrazin-2-yl)amino]propanoic acid
CID 66454375
methyl 6-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylate
CID 115455097
methyl 6-[3-(2-methylpiperidin-1-yl)propylamino]pyrazine-2-carboxylate
CID 66457281
methyl 6-(2-pyrrolidin-2-ylethylamino)pyrazine-2-carboxylate
CID 114794650
methyl 6-[(3-aminocyclobutyl)amino]pyrazine-2-carboxylate
CID 66457542
methyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]pyrazine-2-carboxylate
CID 66457291

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate (CID 66455933) is methyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate is COC(=O)c1cncc(NCC2CCC(C)CC2)n1.
What is the InChIKey of methyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate?
The InChIKey is YAORFVFLKSHRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10-3-5-11(6-4-10)7-16-13-9-15-8-12(17-13)14(18)19-2/h8-11H,3-7H2,1-2H3,(H,16,17).
What are the key properties of methyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate?
methyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-methylcyclohexyl)methylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 66455933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).