5-[3-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]phenyl]pyridin-2-amine

C23H17F3N4 — CID 25096945

IUPAC5-[3-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]phenyl]pyridin-2-amine
SMILESCc1cc(-c2ccc(C(F)(F)F)nc2)cc(-c2cccc(-c3ccc(N)nc3)c2)n1
InChIInChI=1S/C23H17F3N4/c1-14-9-19(18-5-7-21(28-12-18)23(24,25)26)11-20(30-14)16-4-2-3-15(10-16)17-6-8-22(27)29-13-17/h2-13H,1H3,(H2,27,29)
InChIKeyKDZNDRWNYCOBCZ-UHFFFAOYSA-N
MW406.41 g/mol
LogP5.78
Rot. Bonds3

About 5-[3-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]phenyl]pyridin-2-amine

5-[3-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]phenyl]pyridin-2-amine (PubChem CID 25096945) has the molecular formula C23H17F3N4 and a molecular weight of 406.41 g/mol. Its IUPAC name is 5-[3-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]phenyl]pyridin-2-amine
PubChem CID25096945
Molecular FormulaC23H17F3N4
Molecular Weight406.41 g/mol
Exact Mass406.14
IUPAC Name5-[3-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]phenyl]pyridin-2-amine
SMILESCc1cc(-c2ccc(C(F)(F)F)nc2)cc(-c2cccc(-c3ccc(N)nc3)c2)n1
InChIInChI=1S/C23H17F3N4/c1-14-9-19(18-5-7-21(28-12-18)23(24,25)26)11-20(30-14)16-4-2-3-15(10-16)17-6-8-22(27)29-13-17/h2-13H,1H3,(H2,27,29)
InChIKeyKDZNDRWNYCOBCZ-UHFFFAOYSA-N
XLogP5.78
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.41
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 46202416
CID 46202416
CID 25020250
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CID 56947354
CID 56947354
CID 217000
CID 217000
CID 3296768
CID 3296768
CID 16214904
CID 16214904
CID 24996161
CID 24996161
CID 46206292
CID 46206292
CID 46847260
CID 46847260
CID 46892701
CID 46892701
CID 46892821
CID 46892821
CID 46892823
CID 46892823

Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]phenyl]pyridin-2-amine?
The IUPAC name of 5-[3-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]phenyl]pyridin-2-amine (CID 25096945) is 5-[3-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]phenyl]pyridin-2-amine.
What is the SMILES notation for 5-[3-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]phenyl]pyridin-2-amine?
The canonical SMILES for 5-[3-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]phenyl]pyridin-2-amine is Cc1cc(-c2ccc(C(F)(F)F)nc2)cc(-c2cccc(-c3ccc(N)nc3)c2)n1.
What is the InChIKey of 5-[3-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]phenyl]pyridin-2-amine?
The InChIKey is KDZNDRWNYCOBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4/c1-14-9-19(18-5-7-21(28-12-18)23(24,25)26)11-20(30-14)16-4-2-3-15(10-16)17-6-8-22(27)29-13-17/h2-13H,1H3,(H2,27,29).
What are the key properties of 5-[3-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]phenyl]pyridin-2-amine?
5-[3-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]phenyl]pyridin-2-amine has a molecular weight of 406.41 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-methyl-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]phenyl]pyridin-2-amine is sourced from PubChem (CID 25096945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).