methyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate

C14H21N3O2 — CID 104690113

IUPACmethyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate
SMILESCCC1CCCCCN1c1cncc(C(=O)OC)n1
InChIInChI=1S/C14H21N3O2/c1-3-11-7-5-4-6-8-17(11)13-10-15-9-12(16-13)14(18)19-2/h9-11H,3-8H2,1-2H3
InChIKeyYPXONPMRKABGCH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.42
Rot. Bonds3

About methyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate

methyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate (PubChem CID 104690113) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate
PubChem CID104690113
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate
SMILESCCC1CCCCCN1c1cncc(C(=O)OC)n1
InChIInChI=1S/C14H21N3O2/c1-3-11-7-5-4-6-8-17(11)13-10-15-9-12(16-13)14(18)19-2/h9-11H,3-8H2,1-2H3
InChIKeyYPXONPMRKABGCH-UHFFFAOYSA-N
XLogP2.42
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[2-(2-hydroxyethyl)piperidin-1-yl]pyrazine-2-carboxylate
CID 66456369
methyl 5-(2-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 104696638
methyl 6-(2-cyclopentylpyrrolidin-1-yl)pyrazine-2-carboxylate
CID 66450885
methyl 6-(4-methoxycarbonylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456031
methyl 6-(4-ethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 66456854
methyl 6-(4-cyclopentylpiperazin-1-yl)pyrazine-2-carboxylate
CID 66449525
methyl 6-[4-(hydroxymethyl)piperidin-1-yl]pyrazine-2-carboxylate
CID 66456988
methyl 6-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrazine-2-carboxylate
CID 66449740
methyl 2-(2-ethylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylate
CID 115423688
methyl 6-(3-ethoxypiperidin-1-yl)pyrazine-2-carboxylate
CID 66451057
methyl 6-[(1-methylpiperidin-2-yl)methylamino]pyrazine-2-carboxylate
CID 66457311
methyl 6-(4-methoxy-2-methylpiperidin-1-yl)pyrazine-2-carboxylate
CID 114221167

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate (CID 104690113) is methyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate is CCC1CCCCCN1c1cncc(C(=O)OC)n1.
What is the InChIKey of methyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate?
The InChIKey is YPXONPMRKABGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-11-7-5-4-6-8-17(11)13-10-15-9-12(16-13)14(18)19-2/h9-11H,3-8H2,1-2H3.
What are the key properties of methyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate?
methyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-ethylazepan-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 104690113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).