4,6-dimethyl-2-oxo-3H-pyridine-3-carboxamide

C8H10N2O2 — CID 78298768

IUPAC4,6-dimethyl-2-oxo-3H-pyridine-3-carboxamide
SMILESCC1=CC(C)=NC(=O)C1C(N)=O
InChIInChI=1S/C8H10N2O2/c1-4-3-5(2)10-8(12)6(4)7(9)11/h3,6H,1-2H3,(H2,9,11)
InChIKeyRBDJQKWZDXDYQT-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.04
Rot. Bonds1

About 4,6-dimethyl-2-oxo-3H-pyridine-3-carboxamide

4,6-dimethyl-2-oxo-3H-pyridine-3-carboxamide (PubChem CID 78298768) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-3H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-3H-pyridine-3-carboxamide
PubChem CID78298768
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name4,6-dimethyl-2-oxo-3H-pyridine-3-carboxamide
SMILESCC1=CC(C)=NC(=O)C1C(N)=O
InChIInChI=1S/C8H10N2O2/c1-4-3-5(2)10-8(12)6(4)7(9)11/h3,6H,1-2H3,(H2,9,11)
InChIKeyRBDJQKWZDXDYQT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-oxo-3H-pyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-2-oxo-3H-pyridine-3-carboxamide (CID 78298768) is 4,6-dimethyl-2-oxo-3H-pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-2-oxo-3H-pyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-2-oxo-3H-pyridine-3-carboxamide is CC1=CC(C)=NC(=O)C1C(N)=O.
What is the InChIKey of 4,6-dimethyl-2-oxo-3H-pyridine-3-carboxamide?
The InChIKey is RBDJQKWZDXDYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-4-3-5(2)10-8(12)6(4)7(9)11/h3,6H,1-2H3,(H2,9,11).
What are the key properties of 4,6-dimethyl-2-oxo-3H-pyridine-3-carboxamide?
4,6-dimethyl-2-oxo-3H-pyridine-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 4,6-dimethyl-2-oxo-3H-pyridine-3-carboxamide is sourced from PubChem (CID 78298768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).