N-methyl-N-(3-methyl-2-oxo-1-pyridinyl)acetamide

C9H12N2O2 — CID 20772299

IUPACN-methyl-N-(3-methyl-2-oxo-1-pyridinyl)acetamide
SMILESCC(=O)N(C)n1cccc(C)c1=O
InChIInChI=1S/C9H12N2O2/c1-7-5-4-6-11(9(7)13)10(3)8(2)12/h4-6H,1-3H3
InChIKeyXWBNKNOUVWAYIT-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.27
Rot. Bonds1

About N-methyl-N-(3-methyl-2-oxo-1-pyridinyl)acetamide

N-methyl-N-(3-methyl-2-oxo-1-pyridinyl)acetamide (PubChem CID 20772299) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-methyl-N-(3-methyl-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(3-methyl-2-oxo-1-pyridinyl)acetamide
PubChem CID20772299
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-methyl-N-(3-methyl-2-oxo-1-pyridinyl)acetamide
SMILESCC(=O)N(C)n1cccc(C)c1=O
InChIInChI=1S/C9H12N2O2/c1-7-5-4-6-11(9(7)13)10(3)8(2)12/h4-6H,1-3H3
InChIKeyXWBNKNOUVWAYIT-UHFFFAOYSA-N
XLogP0.27
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methyl-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-methyl-N-(3-methyl-2-oxo-1-pyridinyl)acetamide (CID 20772299) is N-methyl-N-(3-methyl-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-methyl-N-(3-methyl-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-methyl-N-(3-methyl-2-oxo-1-pyridinyl)acetamide is CC(=O)N(C)n1cccc(C)c1=O.
What is the InChIKey of N-methyl-N-(3-methyl-2-oxo-1-pyridinyl)acetamide?
The InChIKey is XWBNKNOUVWAYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7-5-4-6-11(9(7)13)10(3)8(2)12/h4-6H,1-3H3.
What are the key properties of N-methyl-N-(3-methyl-2-oxo-1-pyridinyl)acetamide?
N-methyl-N-(3-methyl-2-oxo-1-pyridinyl)acetamide has a molecular weight of 180.21 g/mol, XLogP of 0.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methyl-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 20772299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).