4-acetyl-N-tert-butyl-2,3-dihydro-1H-pyrazine-5-carboxamide

C11H19N3O2 — CID 15508343

IUPAC4-acetyl-N-tert-butyl-2,3-dihydro-1H-pyrazine-5-carboxamide
SMILESCC(=O)N1CCNC=C1C(=O)NC(C)(C)C
InChIInChI=1S/C11H19N3O2/c1-8(15)14-6-5-12-7-9(14)10(16)13-11(2,3)4/h7,12H,5-6H2,1-4H3,(H,13,16)
InChIKeyZGSJHMDDXJMCGR-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.19
Rot. Bonds1

About 4-acetyl-N-tert-butyl-2,3-dihydro-1H-pyrazine-5-carboxamide

4-acetyl-N-tert-butyl-2,3-dihydro-1H-pyrazine-5-carboxamide (PubChem CID 15508343) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-acetyl-N-tert-butyl-2,3-dihydro-1H-pyrazine-5-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-tert-butyl-2,3-dihydro-1H-pyrazine-5-carboxamide
PubChem CID15508343
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-acetyl-N-tert-butyl-2,3-dihydro-1H-pyrazine-5-carboxamide
SMILESCC(=O)N1CCNC=C1C(=O)NC(C)(C)C
InChIInChI=1S/C11H19N3O2/c1-8(15)14-6-5-12-7-9(14)10(16)13-11(2,3)4/h7,12H,5-6H2,1-4H3,(H,13,16)
InChIKeyZGSJHMDDXJMCGR-UHFFFAOYSA-N
XLogP0.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-N-tert-butyl-2,3-dihydro-1H-pyrazine-5-carboxamide 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-acetyl-N-tert-butyl-2,3-dihydro-1H-pyrazine-5-carboxamide?
The IUPAC name of 4-acetyl-N-tert-butyl-2,3-dihydro-1H-pyrazine-5-carboxamide (CID 15508343) is 4-acetyl-N-tert-butyl-2,3-dihydro-1H-pyrazine-5-carboxamide.
What is the SMILES notation for 4-acetyl-N-tert-butyl-2,3-dihydro-1H-pyrazine-5-carboxamide?
The canonical SMILES for 4-acetyl-N-tert-butyl-2,3-dihydro-1H-pyrazine-5-carboxamide is CC(=O)N1CCNC=C1C(=O)NC(C)(C)C.
What is the InChIKey of 4-acetyl-N-tert-butyl-2,3-dihydro-1H-pyrazine-5-carboxamide?
The InChIKey is ZGSJHMDDXJMCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(15)14-6-5-12-7-9(14)10(16)13-11(2,3)4/h7,12H,5-6H2,1-4H3,(H,13,16).
What are the key properties of 4-acetyl-N-tert-butyl-2,3-dihydro-1H-pyrazine-5-carboxamide?
4-acetyl-N-tert-butyl-2,3-dihydro-1H-pyrazine-5-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-tert-butyl-2,3-dihydro-1H-pyrazine-5-carboxamide is sourced from PubChem (CID 15508343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).