6-oxo-N-(6-oxopiperidin-3-yl)-1H-pyrazine-3-carboxamide

C10H12N4O3 — CID 55209074

IUPAC6-oxo-N-(6-oxopiperidin-3-yl)-1H-pyrazine-3-carboxamide
SMILESO=C1CCC(NC(=O)c2c[nH]c(=O)cn2)CN1
InChIInChI=1S/C10H12N4O3/c15-8-2-1-6(3-12-8)14-10(17)7-4-13-9(16)5-11-7/h4-6H,1-3H2,(H,12,15)(H,13,16)(H,14,17)
InChIKeyYHWLICUJQKQLON-UHFFFAOYSA-N
MW236.23 g/mol
LogP-1.22
Rot. Bonds2

About 6-oxo-N-(6-oxopiperidin-3-yl)-1H-pyrazine-3-carboxamide

6-oxo-N-(6-oxopiperidin-3-yl)-1H-pyrazine-3-carboxamide (PubChem CID 55209074) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 6-oxo-N-(6-oxopiperidin-3-yl)-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(6-oxopiperidin-3-yl)-1H-pyrazine-3-carboxamide
PubChem CID55209074
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name6-oxo-N-(6-oxopiperidin-3-yl)-1H-pyrazine-3-carboxamide
SMILESO=C1CCC(NC(=O)c2c[nH]c(=O)cn2)CN1
InChIInChI=1S/C10H12N4O3/c15-8-2-1-6(3-12-8)14-10(17)7-4-13-9(16)5-11-7/h4-6H,1-3H2,(H,12,15)(H,13,16)(H,14,17)
InChIKeyYHWLICUJQKQLON-UHFFFAOYSA-N
XLogP-1.22
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(6-oxopiperidin-3-yl)-1H-pyrazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(6-oxopiperidin-3-yl)-1H-pyrazine-3-carboxamide (CID 55209074) is 6-oxo-N-(6-oxopiperidin-3-yl)-1H-pyrazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(6-oxopiperidin-3-yl)-1H-pyrazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(6-oxopiperidin-3-yl)-1H-pyrazine-3-carboxamide is O=C1CCC(NC(=O)c2c[nH]c(=O)cn2)CN1.
What is the InChIKey of 6-oxo-N-(6-oxopiperidin-3-yl)-1H-pyrazine-3-carboxamide?
The InChIKey is YHWLICUJQKQLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c15-8-2-1-6(3-12-8)14-10(17)7-4-13-9(16)5-11-7/h4-6H,1-3H2,(H,12,15)(H,13,16)(H,14,17).
What are the key properties of 6-oxo-N-(6-oxopiperidin-3-yl)-1H-pyrazine-3-carboxamide?
6-oxo-N-(6-oxopiperidin-3-yl)-1H-pyrazine-3-carboxamide has a molecular weight of 236.23 g/mol, XLogP of -1.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(6-oxopiperidin-3-yl)-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 55209074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).