N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C22H23F3N2O2 — CID 91955190

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)n(-c2cccc(C(F)(F)F)c2)c1)C1CC2CCC1C2
InChIInChI=1S/C22H23F3N2O2/c1-13(19-10-14-5-6-15(19)9-14)26-21(29)16-7-8-20(28)27(12-16)18-4-2-3-17(11-18)22(23,24)25/h2-4,7-8,11-15,19H,5-6,9-10H2,1H3,(H,26,29)
InChIKeyCUEQVUOTFYIRFK-UHFFFAOYSA-N
MW404.43 g/mol
LogP4.41
Rot. Bonds4

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 91955190) has the molecular formula C22H23F3N2O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID91955190
Molecular FormulaC22H23F3N2O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(=O)n(-c2cccc(C(F)(F)F)c2)c1)C1CC2CCC1C2
InChIInChI=1S/C22H23F3N2O2/c1-13(19-10-14-5-6-15(19)9-14)26-21(29)16-7-8-20(28)27(12-16)18-4-2-3-17(11-18)22(23,24)25/h2-4,7-8,11-15,19H,5-6,9-10H2,1H3,(H,26,29)
InChIKeyCUEQVUOTFYIRFK-UHFFFAOYSA-N
XLogP4.41
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-pyrrol-1-ylbenzamide
CID 98785559
N-[2-[[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethoxy]-3-(trifluoromethyl)benzamide
CID 98724622
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 18271808
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-methylbenzamide
CID 98205461
5-(3-methylpiperidine-1-carbonyl)-1-[3-(trifluoromethyl)phenyl]pyridin-2-one
CID 91955187
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 98202188
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 6979705
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 4964620
N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2548756
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 129429156
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 91954418
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methoxybenzamide
CID 98233696

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 91955190) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is CC(NC(=O)c1ccc(=O)n(-c2cccc(C(F)(F)F)c2)c1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is CUEQVUOTFYIRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O2/c1-13(19-10-14-5-6-15(19)9-14)26-21(29)16-7-8-20(28)27(12-16)18-4-2-3-17(11-18)22(23,24)25/h2-4,7-8,11-15,19H,5-6,9-10H2,1H3,(H,26,29).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 91955190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).