N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-phenylpyridine-3-carboxamide

C22H16F6N2O — CID 91184668

IUPACN-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-phenylpyridine-3-carboxamide
SMILESO=C(NCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnccc1-c1ccccc1
InChIInChI=1S/C22H16F6N2O/c23-21(24,25)16-10-14(11-17(12-16)22(26,27)28)6-9-30-20(31)19-13-29-8-7-18(19)15-4-2-1-3-5-15/h1-5,7-8,10-13H,6,9H2,(H,30,31)
InChIKeyGHMAKHGEYSMHLF-UHFFFAOYSA-N
MW438.37 g/mol
LogP5.76
Rot. Bonds5

About N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-phenylpyridine-3-carboxamide

N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-phenylpyridine-3-carboxamide (PubChem CID 91184668) has the molecular formula C22H16F6N2O and a molecular weight of 438.37 g/mol. Its IUPAC name is N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-phenylpyridine-3-carboxamide
PubChem CID91184668
Molecular FormulaC22H16F6N2O
Molecular Weight438.37 g/mol
Exact Mass438.12
IUPAC NameN-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-phenylpyridine-3-carboxamide
SMILESO=C(NCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnccc1-c1ccccc1
InChIInChI=1S/C22H16F6N2O/c23-21(24,25)16-10-14(11-17(12-16)22(26,27)28)6-9-30-20(31)19-13-29-8-7-18(19)15-4-2-1-3-5-15/h1-5,7-8,10-13H,6,9H2,(H,30,31)
InChIKeyGHMAKHGEYSMHLF-UHFFFAOYSA-N
XLogP5.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.37
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-phenyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 141359253
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-naphthalen-1-ylbenzamide
CID 57233630
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(N-methylanilino)benzamide
CID 57046615
N,4-diphenylpyridine-3-carboxamide
CID 13115140
2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 141132168
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-methylphenyl)-6-(2-trimethylsilylethynyl)pyridine-3-carboxamide
CID 90961364
3-methyl-N-[2-(2-phenylphenyl)ethyl]pyridine-4-carboxamide
CID 91120508
N-[2-(dimethylamino)ethyl]-3-phenylpyridine-4-carboxamide
CID 91804668
3-phenyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 57383723
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-methylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide
CID 91367279
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-(2-bromophenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 57189926
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-phenylpyridine-3-carboxamide?
The IUPAC name of N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-phenylpyridine-3-carboxamide (CID 91184668) is N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-phenylpyridine-3-carboxamide is O=C(NCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cnccc1-c1ccccc1.
What is the InChIKey of N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-phenylpyridine-3-carboxamide?
The InChIKey is GHMAKHGEYSMHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F6N2O/c23-21(24,25)16-10-14(11-17(12-16)22(26,27)28)6-9-30-20(31)19-13-29-8-7-18(19)15-4-2-1-3-5-15/h1-5,7-8,10-13H,6,9H2,(H,30,31).
What are the key properties of N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-phenylpyridine-3-carboxamide?
N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-phenylpyridine-3-carboxamide has a molecular weight of 438.37 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-4-phenylpyridine-3-carboxamide is sourced from PubChem (CID 91184668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).