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

C21H18F3N3O — CID 109213709

IUPAC4-(2-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(NCCc2ccccc2)ccn1
InChIInChI=1S/C21H18F3N3O/c22-21(23,24)16-7-4-8-18(13-16)27-20(28)19-14-17(10-12-26-19)25-11-9-15-5-2-1-3-6-15/h1-8,10,12-14H,9,11H2,(H,25,26)(H,27,28)
InChIKeyWFFOYWYGKMYMRU-UHFFFAOYSA-N
MW385.39 g/mol
LogP5.01
Rot. Bonds6

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

4-(2-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 109213709) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is 4-(2-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID109213709
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC Name4-(2-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc(NCCc2ccccc2)ccn1
InChIInChI=1S/C21H18F3N3O/c22-21(23,24)16-7-4-8-18(13-16)27-20(28)19-14-17(10-12-26-19)25-11-9-15-5-2-1-3-6-15/h1-8,10,12-14H,9,11H2,(H,25,26)(H,27,28)
InChIKeyWFFOYWYGKMYMRU-UHFFFAOYSA-N
XLogP5.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109213710
4-(pyridin-4-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109213474
4-[(3-methylphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109210364
N-(4-chlorophenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213688
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
4-[benzyl(ethyl)amino]-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109212643
4-[2-(4-fluorophenyl)ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109214200
4-(2-phenylethylamino)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109213726
2-(benzylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109169562
N-(2,5-dimethylphenyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213674
4-(2-phenylethylamino)-N-(2-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109213682
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 109213709) is 4-(2-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc(NCCc2ccccc2)ccn1.
What is the InChIKey of 4-(2-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is WFFOYWYGKMYMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c22-21(23,24)16-7-4-8-18(13-16)27-20(28)19-14-17(10-12-26-19)25-11-9-15-5-2-1-3-6-15/h1-8,10,12-14H,9,11H2,(H,25,26)(H,27,28).
What are the key properties of 4-(2-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
4-(2-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109213709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).