[6-(cyclopropylmethoxy)-5-pyrrolidin-1-ylpyrazin-2-yl] N-cyclohexylcarbamate

C19H28N4O3 — CID 68569946

IUPAC[6-(cyclopropylmethoxy)-5-pyrrolidin-1-ylpyrazin-2-yl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1cnc(N2CCCC2)c(OCC2CC2)n1
InChIInChI=1S/C19H28N4O3/c24-19(21-15-6-2-1-3-7-15)26-16-12-20-17(23-10-4-5-11-23)18(22-16)25-13-14-8-9-14/h12,14-15H,1-11,13H2,(H,21,24)
InChIKeyKIIRGESZKSBHSJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.29
Rot. Bonds6

About [6-(cyclopropylmethoxy)-5-pyrrolidin-1-ylpyrazin-2-yl] N-cyclohexylcarbamate

[6-(cyclopropylmethoxy)-5-pyrrolidin-1-ylpyrazin-2-yl] N-cyclohexylcarbamate (PubChem CID 68569946) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is [6-(cyclopropylmethoxy)-5-pyrrolidin-1-ylpyrazin-2-yl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[6-(cyclopropylmethoxy)-5-pyrrolidin-1-ylpyrazin-2-yl] N-cyclohexylcarbamate
PubChem CID68569946
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name[6-(cyclopropylmethoxy)-5-pyrrolidin-1-ylpyrazin-2-yl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1cnc(N2CCCC2)c(OCC2CC2)n1
InChIInChI=1S/C19H28N4O3/c24-19(21-15-6-2-1-3-7-15)26-16-12-20-17(23-10-4-5-11-23)18(22-16)25-13-14-8-9-14/h12,14-15H,1-11,13H2,(H,21,24)
InChIKeyKIIRGESZKSBHSJ-UHFFFAOYSA-N
XLogP3.29
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(cyclopropylmethoxy)-5-pyrrolidin-1-ylpyrazin-2-yl] N-cyclohexylcarbamate?
The IUPAC name of [6-(cyclopropylmethoxy)-5-pyrrolidin-1-ylpyrazin-2-yl] N-cyclohexylcarbamate (CID 68569946) is [6-(cyclopropylmethoxy)-5-pyrrolidin-1-ylpyrazin-2-yl] N-cyclohexylcarbamate.
What is the SMILES notation for [6-(cyclopropylmethoxy)-5-pyrrolidin-1-ylpyrazin-2-yl] N-cyclohexylcarbamate?
The canonical SMILES for [6-(cyclopropylmethoxy)-5-pyrrolidin-1-ylpyrazin-2-yl] N-cyclohexylcarbamate is O=C(NC1CCCCC1)Oc1cnc(N2CCCC2)c(OCC2CC2)n1.
What is the InChIKey of [6-(cyclopropylmethoxy)-5-pyrrolidin-1-ylpyrazin-2-yl] N-cyclohexylcarbamate?
The InChIKey is KIIRGESZKSBHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c24-19(21-15-6-2-1-3-7-15)26-16-12-20-17(23-10-4-5-11-23)18(22-16)25-13-14-8-9-14/h12,14-15H,1-11,13H2,(H,21,24).
What are the key properties of [6-(cyclopropylmethoxy)-5-pyrrolidin-1-ylpyrazin-2-yl] N-cyclohexylcarbamate?
[6-(cyclopropylmethoxy)-5-pyrrolidin-1-ylpyrazin-2-yl] N-cyclohexylcarbamate has a molecular weight of 360.46 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopropylmethoxy)-5-pyrrolidin-1-ylpyrazin-2-yl] N-cyclohexylcarbamate is sourced from PubChem (CID 68569946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).