N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide

C18H16F4N2O3 — CID 158165691

IUPACN-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
SMILESCC(=O)Cc1cc(C(=O)NCc2cccc(OC(F)(F)F)c2F)cc(C)n1
InChIInChI=1S/C18H16F4N2O3/c1-10-6-13(8-14(24-10)7-11(2)25)17(26)23-9-12-4-3-5-15(16(12)19)27-18(20,21)22/h3-6,8H,7,9H2,1-2H3,(H,23,26)
InChIKeyFWUUKZSLZTZPPV-UHFFFAOYSA-N
MW384.33 g/mol
LogP3.49
Rot. Bonds6

About N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide

N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide (PubChem CID 158165691) has the molecular formula C18H16F4N2O3 and a molecular weight of 384.33 g/mol. Its IUPAC name is N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
PubChem CID158165691
Molecular FormulaC18H16F4N2O3
Molecular Weight384.33 g/mol
Exact Mass384.11
IUPAC NameN-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
SMILESCC(=O)Cc1cc(C(=O)NCc2cccc(OC(F)(F)F)c2F)cc(C)n1
InChIInChI=1S/C18H16F4N2O3/c1-10-6-13(8-14(24-10)7-11(2)25)17(26)23-9-12-4-3-5-15(16(12)19)27-18(20,21)22/h3-6,8H,7,9H2,1-2H3,(H,23,26)
InChIKeyFWUUKZSLZTZPPV-UHFFFAOYSA-N
XLogP3.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 159933164
4-sulfanyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 162582853
3-fluoro-N-[(3-methylbenzotriazol-4-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 146590814
3-(methylsulfamoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34553753
2-(2-oxopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 158665021
2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378285
tert-butyl N-[3-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]phenyl]carbamate
CID 34555235
2-[(6-methyl-2-pyridinyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 90510136
N-[(2-fluoro-3-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 157071276
N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 159204879
3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34554477
6-methyl-2-(2-oxopropyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrimidine-4-carboxamide
CID 162043031

Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide?
The IUPAC name of N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide (CID 158165691) is N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide?
The canonical SMILES for N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide is CC(=O)Cc1cc(C(=O)NCc2cccc(OC(F)(F)F)c2F)cc(C)n1.
What is the InChIKey of N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide?
The InChIKey is FWUUKZSLZTZPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O3/c1-10-6-13(8-14(24-10)7-11(2)25)17(26)23-9-12-4-3-5-15(16(12)19)27-18(20,21)22/h3-6,8H,7,9H2,1-2H3,(H,23,26).
What are the key properties of N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide?
N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide has a molecular weight of 384.33 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide is sourced from PubChem (CID 158165691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).