2-[benzyl(ethyl)amino]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C22H18F3N3 — CID 135072973

IUPAC2-[benzyl(ethyl)amino]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCN(Cc1ccccc1)c1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C22H18F3N3/c1-2-28(15-16-9-5-3-6-10-16)21-18(14-26)19(22(23,24)25)13-20(27-21)17-11-7-4-8-12-17/h3-13H,2,15H2,1H3
InChIKeyCOCONLXPIXTDFZ-UHFFFAOYSA-N
MW381.40 g/mol
LogP5.67
Rot. Bonds5

About 2-[benzyl(ethyl)amino]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-[benzyl(ethyl)amino]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 135072973) has the molecular formula C22H18F3N3 and a molecular weight of 381.40 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID135072973
Molecular FormulaC22H18F3N3
Molecular Weight381.40 g/mol
Exact Mass381.15
IUPAC Name2-[benzyl(ethyl)amino]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCCN(Cc1ccccc1)c1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N
InChIInChI=1S/C22H18F3N3/c1-2-28(15-16-9-5-3-6-10-16)21-18(14-26)19(22(23,24)25)13-20(27-21)17-11-7-4-8-12-17/h3-13H,2,15H2,1H3
InChIKeyCOCONLXPIXTDFZ-UHFFFAOYSA-N
XLogP5.67
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.40
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Blonanserin
CID 125564
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
ST001233
CID 610514
2-Amino-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile
CID 695136
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
4-(4-Methylphenyl)-6-phenylpyridin-2-amine
CID 2113077
2-Amino-4,6-diphenylpyridine-3-carbonitrile
CID 668105
4-(3-Piperidin-1-Ylpropyl)-6-[3-(Trifluoromethyl)phenyl]pyrimidine-2-Carbonitrile
CID 11516307
6-{methyl[(1R)-1-phenylethyl]amino}-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 11738282
3-[2-(6-Amino-4-Methylpyridin-2-Yl)ethyl]-5-{2-[4-Methyl-6-(Methylamino)pyridin-2-Yl]ethyl}benzonitrile
CID 86346620
6-(2-{5-[3-(Dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine
CID 137530114
6-(2-{3-[3-(Dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine
CID 137530115

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[benzyl(ethyl)amino]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 135072973) is 2-[benzyl(ethyl)amino]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[benzyl(ethyl)amino]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is CCN(Cc1ccccc1)c1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N.
What is the InChIKey of 2-[benzyl(ethyl)amino]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is COCONLXPIXTDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3/c1-2-28(15-16-9-5-3-6-10-16)21-18(14-26)19(22(23,24)25)13-20(27-21)17-11-7-4-8-12-17/h3-13H,2,15H2,1H3.
What are the key properties of 2-[benzyl(ethyl)amino]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-[benzyl(ethyl)amino]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 381.40 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 135072973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).