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

C18H18F3N3O3 — CID 38456683

IUPACN,1-dimethyl-2-oxo-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C18H18F3N3O3/c1-23-8-7-14(9-15(23)25)17(27)24(2)10-12-3-5-13(6-4-12)16(26)22-11-18(19,20)21/h3-9H,10-11H2,1-2H3,(H,22,26)
InChIKeyNNEWWPVTQUXANN-UHFFFAOYSA-N
MW381.35 g/mol
LogP1.95
Rot. Bonds5

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

N,1-dimethyl-2-oxo-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 38456683) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is N,1-dimethyl-2-oxo-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-2-oxo-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID38456683
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC NameN,1-dimethyl-2-oxo-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide
SMILESCN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C18H18F3N3O3/c1-23-8-7-14(9-15(23)25)17(27)24(2)10-12-3-5-13(6-4-12)16(26)22-11-18(19,20)21/h3-9H,10-11H2,1-2H3,(H,22,26)
InChIKeyNNEWWPVTQUXANN-UHFFFAOYSA-N
XLogP1.95
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
CID 39997798
1-ethyl-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzotriazole-5-carboxamide
CID 30806374
N-(2,2-difluoro-3-hydroxypropyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 104857762
4-[2-(methanesulfonamido)ethyl]-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
CID 30806953
N,2,5-trimethyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]furan-3-carboxamide
CID 38456028
N-[(3-chlorophenyl)methyl]-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 35691680
3-chloro-4,5-dimethoxy-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
CID 30806369
4-[[methyl-(1-methyl-2-oxopyrrolidin-3-yl)amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 154856564
N-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103709300
4-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 34635942
1-(4-fluorophenyl)-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 30806385
N-(3-amino-3-sulfanylidenepropyl)-N,1-dimethyl-2-oxopyridine-4-carboxamide
CID 114039702

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-2-oxo-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N,1-dimethyl-2-oxo-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide (CID 38456683) is N,1-dimethyl-2-oxo-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-2-oxo-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N,1-dimethyl-2-oxo-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide is CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of N,1-dimethyl-2-oxo-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is NNEWWPVTQUXANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-23-8-7-14(9-15(23)25)17(27)24(2)10-12-3-5-13(6-4-12)16(26)22-11-18(19,20)21/h3-9H,10-11H2,1-2H3,(H,22,26).
What are the key properties of N,1-dimethyl-2-oxo-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide?
N,1-dimethyl-2-oxo-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 381.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-2-oxo-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 38456683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).