[3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]azanide

C24H17F3N3- — CID 159098890

IUPAC[3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]azanide
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc([NH-])c3)n2)n1
InChIInChI=1S/C24H17F3N3/c1-15-12-18(16-8-10-19(11-9-16)24(25,26)27)14-23(29-15)22-7-3-6-21(30-22)17-4-2-5-20(28)13-17/h2-14,28H,1H3/q-1
InChIKeyKDAGKZBEPSOMGU-UHFFFAOYSA-N
MW404.42 g/mol
LogP7.49
Rot. Bonds3

About [3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]azanide

[3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]azanide (PubChem CID 159098890) has the molecular formula C24H17F3N3- and a molecular weight of 404.42 g/mol. Its IUPAC name is [3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]azanide.

Molecular Properties

Compound Name[3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]azanide
PubChem CID159098890
Molecular FormulaC24H17F3N3-
Molecular Weight404.42 g/mol
Exact Mass404.14
IUPAC Name[3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]azanide
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc([NH-])c3)n2)n1
InChIInChI=1S/C24H17F3N3/c1-15-12-18(16-8-10-19(11-9-16)24(25,26)27)14-23(29-15)22-7-3-6-21(30-22)17-4-2-5-20(28)13-17/h2-14,28H,1H3/q-1
InChIKeyKDAGKZBEPSOMGU-UHFFFAOYSA-N
XLogP7.49
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.42
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonic acid
CID 16747649
2-(3-bromophenyl)-6-methyl-4-[4-(trifluoromethyl)phenyl]pyridine
CID 57468745
2,2-dimethylpropyl 3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]benzenesulfonate
CID 86615467
2-(6-methyl-2-pyridinyl)-6-[3-(sulfamoylamino)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridine
CID 151524358
5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-phenyl-1,2,4-oxadiazole
CID 141185353
2-[1-[3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]sulfonylpiperidin-4-yl]oxyethanol
CID 68693658
4-(4-methylphenyl)-2,6-bis(6-methyl-2-pyridinyl)pyridine
CID 177498154
2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine
CID 58672250
2-[3-[4-[3,5-bis[2-[3-(4,6-diphenyl-2-pyridinyl)phenyl]-6-methyl-4-pyridinyl]phenyl]-6-methyl-2-pyridinyl]phenyl]-4,6-diphenylpyridine;4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-2-[3-[4-[3-(2,6-diphenyl-4-pyridinyl)phenyl]-6-phenyl-2-pyridinyl]phenyl]-6-phenylpyridine;2-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-4-[3-[2-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-6-phenyl-4-pyridinyl]phenyl]-6-phenylpyridine
CID 160789301
[4-[6-[6-(4,6-diphenyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-triethylsilane
CID 176645706
3-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-pyridinyl]benzenesulfonamide
CID 24760891
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408

Frequently Asked Questions

What is the IUPAC name of [3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]azanide?
The IUPAC name of [3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]azanide (CID 159098890) is [3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]azanide.
What is the SMILES notation for [3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]azanide?
The canonical SMILES for [3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]azanide is Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc([NH-])c3)n2)n1.
What is the InChIKey of [3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]azanide?
The InChIKey is KDAGKZBEPSOMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N3/c1-15-12-18(16-8-10-19(11-9-16)24(25,26)27)14-23(29-15)22-7-3-6-21(30-22)17-4-2-5-20(28)13-17/h2-14,28H,1H3/q-1.
What are the key properties of [3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]azanide?
[3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]azanide has a molecular weight of 404.42 g/mol, XLogP of 7.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-pyridinyl]phenyl]azanide is sourced from PubChem (CID 159098890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).