6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-N-pyridin-3-ylpyridin-2-amine

C28H22FN5 — CID 67014297

IUPAC6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-N-pyridin-3-ylpyridin-2-amine
SMILESFc1ccc(C(c2cccc(Nc3cccnc3)n2)C(c2cccnc2)c2cccnc2)cc1
InChIInChI=1S/C28H22FN5/c29-23-12-10-20(11-13-23)28(25-8-1-9-26(34-25)33-24-7-4-16-32-19-24)27(21-5-2-14-30-17-21)22-6-3-15-31-18-22/h1-19,27-28H,(H,33,34)
InChIKeySJKWWVYDXSUCMJ-UHFFFAOYSA-N
MW447.52 g/mol
LogP6.11
Rot. Bonds7

About 6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-N-pyridin-3-ylpyridin-2-amine

6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-N-pyridin-3-ylpyridin-2-amine (PubChem CID 67014297) has the molecular formula C28H22FN5 and a molecular weight of 447.52 g/mol. Its IUPAC name is 6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-N-pyridin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-N-pyridin-3-ylpyridin-2-amine
PubChem CID67014297
Molecular FormulaC28H22FN5
Molecular Weight447.52 g/mol
Exact Mass447.19
IUPAC Name6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-N-pyridin-3-ylpyridin-2-amine
SMILESFc1ccc(C(c2cccc(Nc3cccnc3)n2)C(c2cccnc2)c2cccnc2)cc1
InChIInChI=1S/C28H22FN5/c29-23-12-10-20(11-13-23)28(25-8-1-9-26(34-25)33-24-7-4-16-32-19-24)27(21-5-2-14-30-17-21)22-6-3-15-31-18-22/h1-19,27-28H,(H,33,34)
InChIKeySJKWWVYDXSUCMJ-UHFFFAOYSA-N
XLogP6.11
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.52
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-N-pyridin-3-ylpyridin-2-amine?
The IUPAC name of 6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-N-pyridin-3-ylpyridin-2-amine (CID 67014297) is 6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-N-pyridin-3-ylpyridin-2-amine.
What is the SMILES notation for 6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-N-pyridin-3-ylpyridin-2-amine?
The canonical SMILES for 6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-N-pyridin-3-ylpyridin-2-amine is Fc1ccc(C(c2cccc(Nc3cccnc3)n2)C(c2cccnc2)c2cccnc2)cc1.
What is the InChIKey of 6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-N-pyridin-3-ylpyridin-2-amine?
The InChIKey is SJKWWVYDXSUCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22FN5/c29-23-12-10-20(11-13-23)28(25-8-1-9-26(34-25)33-24-7-4-16-32-19-24)27(21-5-2-14-30-17-21)22-6-3-15-31-18-22/h1-19,27-28H,(H,33,34).
What are the key properties of 6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-N-pyridin-3-ylpyridin-2-amine?
6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-N-pyridin-3-ylpyridin-2-amine has a molecular weight of 447.52 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-N-pyridin-3-ylpyridin-2-amine is sourced from PubChem (CID 67014297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).