4-tert-butyl-N-pyrazin-2-ylbenzamide

C15H17N3O — CID 1246373

IUPAC4-tert-butyl-N-pyrazin-2-ylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cnccn2)cc1
InChIInChI=1S/C15H17N3O/c1-15(2,3)12-6-4-11(5-7-12)14(19)18-13-10-16-8-9-17-13/h4-10H,1-3H3,(H,17,18,19)
InChIKeyWLGREDWSSSRFCV-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.03
Rot. Bonds2

About 4-tert-butyl-N-pyrazin-2-ylbenzamide

4-tert-butyl-N-pyrazin-2-ylbenzamide (PubChem CID 1246373) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-tert-butyl-N-pyrazin-2-ylbenzamide.

Molecular Properties

Compound Name4-tert-butyl-N-pyrazin-2-ylbenzamide
PubChem CID1246373
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-tert-butyl-N-pyrazin-2-ylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cnccn2)cc1
InChIInChI=1S/C15H17N3O/c1-15(2,3)12-6-4-11(5-7-12)14(19)18-13-10-16-8-9-17-13/h4-10H,1-3H3,(H,17,18,19)
InChIKeyWLGREDWSSSRFCV-UHFFFAOYSA-N
XLogP3.03
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-pyrazin-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-pyrazin-2-ylbenzamide?
The IUPAC name of 4-tert-butyl-N-pyrazin-2-ylbenzamide (CID 1246373) is 4-tert-butyl-N-pyrazin-2-ylbenzamide.
What is the SMILES notation for 4-tert-butyl-N-pyrazin-2-ylbenzamide?
The canonical SMILES for 4-tert-butyl-N-pyrazin-2-ylbenzamide is CC(C)(C)c1ccc(C(=O)Nc2cnccn2)cc1.
What is the InChIKey of 4-tert-butyl-N-pyrazin-2-ylbenzamide?
The InChIKey is WLGREDWSSSRFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-15(2,3)12-6-4-11(5-7-12)14(19)18-13-10-16-8-9-17-13/h4-10H,1-3H3,(H,17,18,19).
What are the key properties of 4-tert-butyl-N-pyrazin-2-ylbenzamide?
4-tert-butyl-N-pyrazin-2-ylbenzamide has a molecular weight of 255.32 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-pyrazin-2-ylbenzamide is sourced from PubChem (CID 1246373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).