N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide

C10H11F3N2O2 — CID 84558717

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCc1cc(C)c(CNC(=O)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C10H11F3N2O2/c1-5-3-6(2)15-8(16)7(5)4-14-9(17)10(11,12)13/h3H,4H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyNYDPFWFOTNIJQS-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.17
Rot. Bonds2

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 84558717) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID84558717
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide
SMILESCc1cc(C)c(CNC(=O)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C10H11F3N2O2/c1-5-3-6(2)15-8(16)7(5)4-14-9(17)10(11,12)13/h3H,4H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyNYDPFWFOTNIJQS-UHFFFAOYSA-N
XLogP1.17
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide (CID 84558717) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide is Cc1cc(C)c(CNC(=O)C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is NYDPFWFOTNIJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-5-3-6(2)15-8(16)7(5)4-14-9(17)10(11,12)13/h3H,4H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 248.20 g/mol, XLogP of 1.17, 2 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)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 84558717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).