N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide

C21H22F4N2O2 — CID 158217670

IUPACN-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cc(C(F)(F)F)ccc2F)cc(CC(=O)C(C)C)n1
InChIInChI=1S/C21H22F4N2O2/c1-11(2)19(28)10-16-8-14(7-12(3)26-16)20(29)27-13(4)17-9-15(21(23,24)25)5-6-18(17)22/h5-9,11,13H,10H2,1-4H3,(H,27,29)
InChIKeyGCVYWGOETFQSRH-UHFFFAOYSA-N
MW410.41 g/mol
LogP4.81
Rot. Bonds6

About N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide

N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide (PubChem CID 158217670) has the molecular formula C21H22F4N2O2 and a molecular weight of 410.41 g/mol. Its IUPAC name is N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
PubChem CID158217670
Molecular FormulaC21H22F4N2O2
Molecular Weight410.41 g/mol
Exact Mass410.16
IUPAC NameN-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)c2cc(C(F)(F)F)ccc2F)cc(CC(=O)C(C)C)n1
InChIInChI=1S/C21H22F4N2O2/c1-11(2)19(28)10-16-8-14(7-12(3)26-16)20(29)27-13(4)17-9-15(21(23,24)25)5-6-18(17)22/h5-9,11,13H,10H2,1-4H3,(H,27,29)
InChIKeyGCVYWGOETFQSRH-UHFFFAOYSA-N
XLogP4.81
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 159204879
N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide
CID 158051254
N-[(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-5-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 146716025
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510089
N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 161085351
N-[1-[6-(2,2-difluoroethoxy)-5-methoxy-3-pyridinyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 159797383
N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 158102449
N-[1-(2,5-difluorophenyl)ethyl]-4-fluorobenzamide
CID 60737307
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67511343
N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 147481344
2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 159988317
2-methyl-6-(3-methyl-2-oxobutyl)-N-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 147423680

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide?
The IUPAC name of N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide (CID 158217670) is N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide is Cc1cc(C(=O)NC(C)c2cc(C(F)(F)F)ccc2F)cc(CC(=O)C(C)C)n1.
What is the InChIKey of N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide?
The InChIKey is GCVYWGOETFQSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F4N2O2/c1-11(2)19(28)10-16-8-14(7-12(3)26-16)20(29)27-13(4)17-9-15(21(23,24)25)5-6-18(17)22/h5-9,11,13H,10H2,1-4H3,(H,27,29).
What are the key properties of N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide?
N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide has a molecular weight of 410.41 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(3-methyl-2-oxobutyl)pyridine-4-carboxamide is sourced from PubChem (CID 158217670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).