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

C23H17F3N4 — CID 68689674

IUPAC5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-pyridinyl]pyridin-2-amine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cncc(-c3ccc(N)nc3)c2)n1
InChIInChI=1S/C23H17F3N4/c1-14-8-17(15-2-5-20(6-3-15)23(24,25)26)10-21(30-14)19-9-18(11-28-12-19)16-4-7-22(27)29-13-16/h2-13H,1H3,(H2,27,29)
InChIKeyDOZSFVNBCNDGEU-UHFFFAOYSA-N
MW406.41 g/mol
LogP5.78
Rot. Bonds3

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

5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-pyridinyl]pyridin-2-amine (PubChem CID 68689674) has the molecular formula C23H17F3N4 and a molecular weight of 406.41 g/mol. Its IUPAC name is 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-pyridinyl]pyridin-2-amine
PubChem CID68689674
Molecular FormulaC23H17F3N4
Molecular Weight406.41 g/mol
Exact Mass406.14
IUPAC Name5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-pyridinyl]pyridin-2-amine
SMILESCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cncc(-c3ccc(N)nc3)c2)n1
InChIInChI=1S/C23H17F3N4/c1-14-8-17(15-2-5-20(6-3-15)23(24,25)26)10-21(30-14)19-9-18(11-28-12-19)16-4-7-22(27)29-13-16/h2-13H,1H3,(H2,27,29)
InChIKeyDOZSFVNBCNDGEU-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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Frequently Asked Questions

What is the IUPAC name of 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-pyridinyl]pyridin-2-amine (CID 68689674) is 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-pyridinyl]pyridin-2-amine is Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cncc(-c3ccc(N)nc3)c2)n1.
What is the InChIKey of 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-pyridinyl]pyridin-2-amine?
The InChIKey is DOZSFVNBCNDGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4/c1-14-8-17(15-2-5-20(6-3-15)23(24,25)26)10-21(30-14)19-9-18(11-28-12-19)16-4-7-22(27)29-13-16/h2-13H,1H3,(H2,27,29).
What are the key properties of 5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-pyridinyl]pyridin-2-amine?
5-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-pyridinyl]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-[5-[6-methyl-4-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-3-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 68689674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).