N-(2,2-dimethylpropyl)-6-oxo-1H-pyrazine-3-carboxamide

C10H15N3O2 — CID 118264842

IUPACN-(2,2-dimethylpropyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC(C)(C)CNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H15N3O2/c1-10(2,3)6-13-9(15)7-4-12-8(14)5-11-7/h4-5H,6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyOHKONCRSZHVAEH-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.55
Rot. Bonds2

About N-(2,2-dimethylpropyl)-6-oxo-1H-pyrazine-3-carboxamide

N-(2,2-dimethylpropyl)-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 118264842) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID118264842
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-(2,2-dimethylpropyl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC(C)(C)CNC(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H15N3O2/c1-10(2,3)6-13-9(15)7-4-12-8(14)5-11-7/h4-5H,6H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyOHKONCRSZHVAEH-UHFFFAOYSA-N
XLogP0.55
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-6-oxo-1H-pyrazine-3-carboxamide (CID 118264842) is N-(2,2-dimethylpropyl)-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-6-oxo-1H-pyrazine-3-carboxamide is CC(C)(C)CNC(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of N-(2,2-dimethylpropyl)-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is OHKONCRSZHVAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-10(2,3)6-13-9(15)7-4-12-8(14)5-11-7/h4-5H,6H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of N-(2,2-dimethylpropyl)-6-oxo-1H-pyrazine-3-carboxamide?
N-(2,2-dimethylpropyl)-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 118264842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).