[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl] N,N-dimethylcarbamate

C14H18N4O3 — CID 67371392

IUPAC[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cnc2[nH]cc(C(=O)C(C)(C)C)c2n1
InChIInChI=1S/C14H18N4O3/c1-14(2,3)11(19)8-6-15-12-10(8)17-9(7-16-12)21-13(20)18(4)5/h6-7H,1-5H3,(H,15,16)
InChIKeyNAVXDWHXUJIIIH-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.25
Rot. Bonds2

About [7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl] N,N-dimethylcarbamate

[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl] N,N-dimethylcarbamate (PubChem CID 67371392) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is [7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl] N,N-dimethylcarbamate
PubChem CID67371392
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl] N,N-dimethylcarbamate
SMILESCN(C)C(=O)Oc1cnc2[nH]cc(C(=O)C(C)(C)C)c2n1
InChIInChI=1S/C14H18N4O3/c1-14(2,3)11(19)8-6-15-12-10(8)17-9(7-16-12)21-13(20)18(4)5/h6-7H,1-5H3,(H,15,16)
InChIKeyNAVXDWHXUJIIIH-UHFFFAOYSA-N
XLogP2.25
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl] N,N-dimethylcarbamate?
The IUPAC name of [7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl] N,N-dimethylcarbamate (CID 67371392) is [7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl] N,N-dimethylcarbamate?
The canonical SMILES for [7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl] N,N-dimethylcarbamate is CN(C)C(=O)Oc1cnc2[nH]cc(C(=O)C(C)(C)C)c2n1.
What is the InChIKey of [7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl] N,N-dimethylcarbamate?
The InChIKey is NAVXDWHXUJIIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-14(2,3)11(19)8-6-15-12-10(8)17-9(7-16-12)21-13(20)18(4)5/h6-7H,1-5H3,(H,15,16).
What are the key properties of [7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl] N,N-dimethylcarbamate?
[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl] N,N-dimethylcarbamate has a molecular weight of 290.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 67371392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).