2-methyl-N-(1,4,6-trimethyl-2-oxo-3-pyridinyl)prop-2-enamide

C12H16N2O2 — CID 54538349

IUPAC2-methyl-N-(1,4,6-trimethyl-2-oxo-3-pyridinyl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1c(C)cc(C)n(C)c1=O
InChIInChI=1S/C12H16N2O2/c1-7(2)11(15)13-10-8(3)6-9(4)14(5)12(10)16/h6H,1H2,2-5H3,(H,13,15)
InChIKeyZBJGVDUERIOCPM-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.52
Rot. Bonds2

About 2-methyl-N-(1,4,6-trimethyl-2-oxo-3-pyridinyl)prop-2-enamide

2-methyl-N-(1,4,6-trimethyl-2-oxo-3-pyridinyl)prop-2-enamide (PubChem CID 54538349) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-methyl-N-(1,4,6-trimethyl-2-oxo-3-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(1,4,6-trimethyl-2-oxo-3-pyridinyl)prop-2-enamide
PubChem CID54538349
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-methyl-N-(1,4,6-trimethyl-2-oxo-3-pyridinyl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1c(C)cc(C)n(C)c1=O
InChIInChI=1S/C12H16N2O2/c1-7(2)11(15)13-10-8(3)6-9(4)14(5)12(10)16/h6H,1H2,2-5H3,(H,13,15)
InChIKeyZBJGVDUERIOCPM-UHFFFAOYSA-N
XLogP1.52
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,4,6-trimethyl-2-oxo-3-pyridinyl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(1,4,6-trimethyl-2-oxo-3-pyridinyl)prop-2-enamide (CID 54538349) is 2-methyl-N-(1,4,6-trimethyl-2-oxo-3-pyridinyl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(1,4,6-trimethyl-2-oxo-3-pyridinyl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(1,4,6-trimethyl-2-oxo-3-pyridinyl)prop-2-enamide is C=C(C)C(=O)Nc1c(C)cc(C)n(C)c1=O.
What is the InChIKey of 2-methyl-N-(1,4,6-trimethyl-2-oxo-3-pyridinyl)prop-2-enamide?
The InChIKey is ZBJGVDUERIOCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7(2)11(15)13-10-8(3)6-9(4)14(5)12(10)16/h6H,1H2,2-5H3,(H,13,15).
What are the key properties of 2-methyl-N-(1,4,6-trimethyl-2-oxo-3-pyridinyl)prop-2-enamide?
2-methyl-N-(1,4,6-trimethyl-2-oxo-3-pyridinyl)prop-2-enamide has a molecular weight of 220.27 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,4,6-trimethyl-2-oxo-3-pyridinyl)prop-2-enamide is sourced from PubChem (CID 54538349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).