3-cyclopentyloxy-4-methoxy-N-pyrazin-2-ylbenzamide

C17H19N3O3 — CID 10064170

IUPAC3-cyclopentyloxy-4-methoxy-N-pyrazin-2-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2cnccn2)cc1OC1CCCC1
InChIInChI=1S/C17H19N3O3/c1-22-14-7-6-12(10-15(14)23-13-4-2-3-5-13)17(21)20-16-11-18-8-9-19-16/h6-11,13H,2-5H2,1H3,(H,19,20,21)
InChIKeyOEYBYYSGAFSOPX-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.06
Rot. Bonds5

About 3-cyclopentyloxy-4-methoxy-N-pyrazin-2-ylbenzamide

3-cyclopentyloxy-4-methoxy-N-pyrazin-2-ylbenzamide (PubChem CID 10064170) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 3-cyclopentyloxy-4-methoxy-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name3-cyclopentyloxy-4-methoxy-N-pyrazin-2-ylbenzamide
PubChem CID10064170
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name3-cyclopentyloxy-4-methoxy-N-pyrazin-2-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2cnccn2)cc1OC1CCCC1
InChIInChI=1S/C17H19N3O3/c1-22-14-7-6-12(10-15(14)23-13-4-2-3-5-13)17(21)20-16-11-18-8-9-19-16/h6-11,13H,2-5H2,1H3,(H,19,20,21)
InChIKeyOEYBYYSGAFSOPX-UHFFFAOYSA-N
XLogP3.06
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-4-methoxy-N-pyrazin-2-ylbenzamide?
The IUPAC name of 3-cyclopentyloxy-4-methoxy-N-pyrazin-2-ylbenzamide (CID 10064170) is 3-cyclopentyloxy-4-methoxy-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 3-cyclopentyloxy-4-methoxy-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 3-cyclopentyloxy-4-methoxy-N-pyrazin-2-ylbenzamide is COc1ccc(C(=O)Nc2cnccn2)cc1OC1CCCC1.
What is the InChIKey of 3-cyclopentyloxy-4-methoxy-N-pyrazin-2-ylbenzamide?
The InChIKey is OEYBYYSGAFSOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-22-14-7-6-12(10-15(14)23-13-4-2-3-5-13)17(21)20-16-11-18-8-9-19-16/h6-11,13H,2-5H2,1H3,(H,19,20,21).
What are the key properties of 3-cyclopentyloxy-4-methoxy-N-pyrazin-2-ylbenzamide?
3-cyclopentyloxy-4-methoxy-N-pyrazin-2-ylbenzamide has a molecular weight of 313.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-4-methoxy-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 10064170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).