N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide

C20H15F3N2O — CID 70338497

IUPACN-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccccc1-c1ccc(NC(=O)c2cnccc2C(F)(F)F)cc1
InChIInChI=1S/C20H15F3N2O/c1-13-4-2-3-5-16(13)14-6-8-15(9-7-14)25-19(26)17-12-24-11-10-18(17)20(21,22)23/h2-12H,1H3,(H,25,26)
InChIKeyJJXJGVCUGSPJEY-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.33
Rot. Bonds3

About N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide

N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 70338497) has the molecular formula C20H15F3N2O and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID70338497
Molecular FormulaC20H15F3N2O
Molecular Weight356.35 g/mol
Exact Mass356.11
IUPAC NameN-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1ccccc1-c1ccc(NC(=O)c2cnccc2C(F)(F)F)cc1
InChIInChI=1S/C20H15F3N2O/c1-13-4-2-3-5-16(13)14-6-8-15(9-7-14)25-19(26)17-12-24-11-10-18(17)20(21,22)23/h2-12H,1H3,(H,25,26)
InChIKeyJJXJGVCUGSPJEY-UHFFFAOYSA-N
XLogP5.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860907
2-trimethylsilylethyl 2-phenyl-4-[[4-(trifluoromethyl)pyridine-3-carbonyl]amino]benzoate
CID 67550687
2-[[4-(2-methylphenyl)phenyl]carbamoyl]benzoic acid
CID 70637125
4-(trifluoromethyl)-N-trimethylsilylpyridine-3-carboxamide
CID 170555219
[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]carbamic acid
CID 18543447
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 22228481
N,4-diphenylpyridine-3-carboxamide
CID 13115140
N-[3-methyl-4-(phenylcarbamoylamino)quinolin-8-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 67600268
ethane;1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 142909767
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
N-(4-acetamido-3-methylquinolin-8-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139782579

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 70338497) is N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide is Cc1ccccc1-c1ccc(NC(=O)c2cnccc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is JJXJGVCUGSPJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O/c1-13-4-2-3-5-16(13)14-6-8-15(9-7-14)25-19(26)17-12-24-11-10-18(17)20(21,22)23/h2-12H,1H3,(H,25,26).
What are the key properties of N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 356.35 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 70338497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).