N-(2,6-dioxopiperidin-3-yl)-N-methylpyrazine-2-carboxamide

C11H12N4O3 — CID 172546434

IUPACN-(2,6-dioxopiperidin-3-yl)-N-methylpyrazine-2-carboxamide
SMILESCN(C(=O)c1cnccn1)C1CCC(=O)NC1=O
InChIInChI=1S/C11H12N4O3/c1-15(8-2-3-9(16)14-10(8)17)11(18)7-6-12-4-5-13-7/h4-6,8H,2-3H2,1H3,(H,14,16,17)
InChIKeyMHTNHPXJTRLVDW-UHFFFAOYSA-N
MW248.24 g/mol
LogP-0.65
Rot. Bonds2

About N-(2,6-dioxopiperidin-3-yl)-N-methylpyrazine-2-carboxamide

N-(2,6-dioxopiperidin-3-yl)-N-methylpyrazine-2-carboxamide (PubChem CID 172546434) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N-methylpyrazine-2-carboxamide
PubChem CID172546434
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N-methylpyrazine-2-carboxamide
SMILESCN(C(=O)c1cnccn1)C1CCC(=O)NC1=O
InChIInChI=1S/C11H12N4O3/c1-15(8-2-3-9(16)14-10(8)17)11(18)7-6-12-4-5-13-7/h4-6,8H,2-3H2,1H3,(H,14,16,17)
InChIKeyMHTNHPXJTRLVDW-UHFFFAOYSA-N
XLogP-0.65
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-methylpyrazine-2-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-methylpyrazine-2-carboxamide (CID 172546434) is N-(2,6-dioxopiperidin-3-yl)-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-methylpyrazine-2-carboxamide is CN(C(=O)c1cnccn1)C1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-methylpyrazine-2-carboxamide?
The InChIKey is MHTNHPXJTRLVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-15(8-2-3-9(16)14-10(8)17)11(18)7-6-12-4-5-13-7/h4-6,8H,2-3H2,1H3,(H,14,16,17).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-methylpyrazine-2-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-N-methylpyrazine-2-carboxamide has a molecular weight of 248.24 g/mol, XLogP of -0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 172546434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).