5,5-dimethyl-6-oxopyridine-3-carboxamide

C8H10N2O2 — CID 66728116

IUPAC5,5-dimethyl-6-oxopyridine-3-carboxamide
SMILESCC1(C)C=C(C(N)=O)C=NC1=O
InChIInChI=1S/C8H10N2O2/c1-8(2)3-5(6(9)11)4-10-7(8)12/h3-4H,1-2H3,(H2,9,11)
InChIKeyZCIABJQEUOIEDT-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.04
Rot. Bonds1

About 5,5-dimethyl-6-oxopyridine-3-carboxamide

5,5-dimethyl-6-oxopyridine-3-carboxamide (PubChem CID 66728116) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 5,5-dimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5,5-dimethyl-6-oxopyridine-3-carboxamide
PubChem CID66728116
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name5,5-dimethyl-6-oxopyridine-3-carboxamide
SMILESCC1(C)C=C(C(N)=O)C=NC1=O
InChIInChI=1S/C8H10N2O2/c1-8(2)3-5(6(9)11)4-10-7(8)12/h3-4H,1-2H3,(H2,9,11)
InChIKeyZCIABJQEUOIEDT-UHFFFAOYSA-N
XLogP0.04
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 5,5-dimethyl-6-oxopyridine-3-carboxamide (CID 66728116) is 5,5-dimethyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 5,5-dimethyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 5,5-dimethyl-6-oxopyridine-3-carboxamide is CC1(C)C=C(C(N)=O)C=NC1=O.
What is the InChIKey of 5,5-dimethyl-6-oxopyridine-3-carboxamide?
The InChIKey is ZCIABJQEUOIEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-8(2)3-5(6(9)11)4-10-7(8)12/h3-4H,1-2H3,(H2,9,11).
What are the key properties of 5,5-dimethyl-6-oxopyridine-3-carboxamide?
5,5-dimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 166.18 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 66728116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).