2-(dibenzylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C27H20F3N3 — CID 135072974

IUPAC2-(dibenzylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H20F3N3/c28-27(29,30)24-16-25(22-14-8-3-9-15-22)32-26(23(24)17-31)33(18-20-10-4-1-5-11-20)19-21-12-6-2-7-13-21/h1-16H,18-19H2
InChIKeyQFZFGILBJOCDGV-UHFFFAOYSA-N
MW443.47 g/mol
LogP6.85
Rot. Bonds6

About 2-(dibenzylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile

2-(dibenzylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 135072974) has the molecular formula C27H20F3N3 and a molecular weight of 443.47 g/mol. Its IUPAC name is 2-(dibenzylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(dibenzylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID135072974
Molecular FormulaC27H20F3N3
Molecular Weight443.47 g/mol
Exact Mass443.16
IUPAC Name2-(dibenzylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H20F3N3/c28-27(29,30)24-16-25(22-14-8-3-9-15-22)32-26(23(24)17-31)33(18-20-10-4-1-5-11-20)19-21-12-6-2-7-13-21/h1-16H,18-19H2
InChIKeyQFZFGILBJOCDGV-UHFFFAOYSA-N
XLogP6.85
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.47
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Blonanserin
CID 125564
2-Amino-4-(4-methylphenyl)-6-phenylpyridine-3-carbonitrile
CID 695136
2-Amino-4,6-diphenylpyridine-3-carbonitrile
CID 668105
6-{methyl[(1R)-1-phenylethyl]amino}-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 11738282
2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-4,6-dimethyl-nicotinonitrile
CID 947920
3-(Benzylamino)-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 749177
3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 797798
2-Amino-4-(4-fluorophenyl)-6-phenylpyridine-3-carbonitrile
CID 917384
6-(Methyl(1-phenylethyl)amino)-4-(trifluoromethyl)nicotinonitrile
CID 11426706
6-(((2-(trifluoromethyl)benzyl)(cyclohexylmethyl)amino)methyl)-N-(2,3-dimethylphenyl)pyridin-2-amine
CID 21866580
2-Benzyl-1-(6-benzyl-2-pyridinyl)guanidine
CID 44533049
1-(3-Cyano-4,6-diphenyl-2-pyridinyl)-3-phenylthiourea
CID 118730799

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(dibenzylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 135072974) is 2-(dibenzylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(dibenzylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(dibenzylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is QFZFGILBJOCDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20F3N3/c28-27(29,30)24-16-25(22-14-8-3-9-15-22)32-26(23(24)17-31)33(18-20-10-4-1-5-11-20)19-21-12-6-2-7-13-21/h1-16H,18-19H2.
What are the key properties of 2-(dibenzylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-(dibenzylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 443.47 g/mol, XLogP of 6.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 135072974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).