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

C16H15F3N2O2 — CID 1478473

IUPACN,N-dimethyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C16H15F3N2O2/c1-20(2)14(22)13-7-4-8-21(15(13)23)10-11-5-3-6-12(9-11)16(17,18)19/h3-9H,10H2,1-2H3
InChIKeyHKJMXADFNRFXOF-UHFFFAOYSA-N
MW324.30 g/mol
LogP2.62
Rot. Bonds3

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

N,N-dimethyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 1478473) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is N,N-dimethyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID1478473
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC NameN,N-dimethyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O
InChIInChI=1S/C16H15F3N2O2/c1-20(2)14(22)13-7-4-8-21(15(13)23)10-11-5-3-6-12(9-11)16(17,18)19/h3-9H,10H2,1-2H3
InChIKeyHKJMXADFNRFXOF-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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Related Compounds

1-Benzyl-1,2-dihydropyridin-2-one
CID 244078
1-benzyl-N-methyl-2-oxopyridine-3-carboxamide
CID 48157449
N,1-dibenzyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 571691
3-{[2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzonitrile
CID 2746452
N-benzyl-1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide
CID 23588031
1-benzyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126675255
1-benzyl-5-N-ethyl-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126675974
5-N-cyclopropyl-3-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3,5-dicarboxamide
CID 126676006
1-benzyl-3-N,5-N-dimethyl-2-oxopyridine-3,5-dicarboxamide
CID 129022870
1-benzyl-3-N-methyl-5-N-(2-methylpropyl)-2-oxopyridine-3,5-dicarboxamide
CID 129022871
1-benzyl-3-N-methyl-5-N-(3-methylbutyl)-2-oxopyridine-3,5-dicarboxamide
CID 135341827
N-methyl-2-oxo-1-[3-(trifluoromethyl)benzyl]-1,2-dihydro-3-pyridinecarboxamide
CID 1478472

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 1478473) is N,N-dimethyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is CN(C)C(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O.
What is the InChIKey of N,N-dimethyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is HKJMXADFNRFXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-20(2)14(22)13-7-4-8-21(15(13)23)10-11-5-3-6-12(9-11)16(17,18)19/h3-9H,10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
N,N-dimethyl-2-oxo-1-[[3-(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-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 1478473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).