N-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetamide

C9H12N2O2 — CID 586682

IUPACN-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetamide
SMILESCC(=O)Nc1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C9H12N2O2/c1-5-4-6(2)10-9(13)8(5)11-7(3)12/h4H,1-3H3,(H,10,13)(H,11,12)
InChIKeyDUEHPRMUYPWMCP-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.95
Rot. Bonds1

About N-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetamide

N-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetamide (PubChem CID 586682) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetamide
PubChem CID586682
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetamide
SMILESCC(=O)Nc1c(C)cc(C)[nH]c1=O
InChIInChI=1S/C9H12N2O2/c1-5-4-6(2)10-9(13)8(5)11-7(3)12/h4H,1-3H3,(H,10,13)(H,11,12)
InChIKeyDUEHPRMUYPWMCP-UHFFFAOYSA-N
XLogP0.95
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetamide?
The IUPAC name of N-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetamide (CID 586682) is N-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetamide.
What is the SMILES notation for N-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetamide?
The canonical SMILES for N-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetamide is CC(=O)Nc1c(C)cc(C)[nH]c1=O.
What is the InChIKey of N-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetamide?
The InChIKey is DUEHPRMUYPWMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-4-6(2)10-9(13)8(5)11-7(3)12/h4H,1-3H3,(H,10,13)(H,11,12).
What are the key properties of N-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetamide?
N-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetamide has a molecular weight of 180.21 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)acetamide is sourced from PubChem (CID 586682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).