N-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide

C9H13N3O2 — CID 172999926

IUPACN-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide
SMILESCC(C)CNC(=O)c1cncc(=O)[nH]1
InChIInChI=1S/C9H13N3O2/c1-6(2)3-11-9(14)7-4-10-5-8(13)12-7/h4-6H,3H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyNSNUKBOLOSLQLB-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.16
Rot. Bonds3

About N-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide

N-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide (PubChem CID 172999926) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide
PubChem CID172999926
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide
SMILESCC(C)CNC(=O)c1cncc(=O)[nH]1
InChIInChI=1S/C9H13N3O2/c1-6(2)3-11-9(14)7-4-10-5-8(13)12-7/h4-6H,3H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyNSNUKBOLOSLQLB-UHFFFAOYSA-N
XLogP0.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide?
The IUPAC name of N-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide (CID 172999926) is N-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide is CC(C)CNC(=O)c1cncc(=O)[nH]1.
What is the InChIKey of N-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide?
The InChIKey is NSNUKBOLOSLQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)3-11-9(14)7-4-10-5-8(13)12-7/h4-6H,3H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of N-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide?
N-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide has a molecular weight of 195.22 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide is sourced from PubChem (CID 172999926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).