N,N-dimethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

C16H15F3N2O2 — CID 3811214

IUPACN,N-dimethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C16H15F3N2O2/c1-20(2)14(22)13-4-3-9-21(15(13)23)10-11-5-7-12(8-6-11)16(17,18)19/h3-9H,10H2,1-2H3
InChIKeyUAEMDSORVURIHP-UHFFFAOYSA-N
MW324.30 g/mol
LogP2.62
Rot. Bonds3

About N,N-dimethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

N,N-dimethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 3811214) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is N,N-dimethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID3811214
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC NameN,N-dimethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O
InChIInChI=1S/C16H15F3N2O2/c1-20(2)14(22)13-4-3-9-21(15(13)23)10-11-5-7-12(8-6-11)16(17,18)19/h3-9H,10H2,1-2H3
InChIKeyUAEMDSORVURIHP-UHFFFAOYSA-N
XLogP2.62
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 3811214) is N,N-dimethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is CN(C)C(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O.
What is the InChIKey of N,N-dimethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is UAEMDSORVURIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-20(2)14(22)13-4-3-9-21(15(13)23)10-11-5-7-12(8-6-11)16(17,18)19/h3-9H,10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
N,N-dimethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 324.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-oxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 3811214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).