6-(3-piperazin-1-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

C21H20F3N5 — CID 56947354

IUPAC6-(3-piperazin-1-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2cccc(-c3cccc(N4CCNCC4)c3)n2)c1
InChIInChI=1S/C21H20F3N5/c22-21(23,24)16-7-8-26-20(14-16)28-19-6-2-5-18(27-19)15-3-1-4-17(13-15)29-11-9-25-10-12-29/h1-8,13-14,25H,9-12H2,(H,26,27,28)
InChIKeyFCPDILGNMHIWJE-UHFFFAOYSA-N
MW399.42 g/mol
LogP4.32
Rot. Bonds4

About 6-(3-piperazin-1-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

6-(3-piperazin-1-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 56947354) has the molecular formula C21H20F3N5 and a molecular weight of 399.42 g/mol. Its IUPAC name is 6-(3-piperazin-1-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(3-piperazin-1-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID56947354
Molecular FormulaC21H20F3N5
Molecular Weight399.42 g/mol
Exact Mass399.17
IUPAC Name6-(3-piperazin-1-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2cccc(-c3cccc(N4CCNCC4)c3)n2)c1
InChIInChI=1S/C21H20F3N5/c22-21(23,24)16-7-8-26-20(14-16)28-19-6-2-5-18(27-19)15-3-1-4-17(13-15)29-11-9-25-10-12-29/h1-8,13-14,25H,9-12H2,(H,26,27,28)
InChIKeyFCPDILGNMHIWJE-UHFFFAOYSA-N
XLogP4.32
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-piperazin-1-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 6-(3-piperazin-1-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 56947354) is 6-(3-piperazin-1-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 6-(3-piperazin-1-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 6-(3-piperazin-1-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is FC(F)(F)c1ccnc(Nc2cccc(-c3cccc(N4CCNCC4)c3)n2)c1.
What is the InChIKey of 6-(3-piperazin-1-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is FCPDILGNMHIWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5/c22-21(23,24)16-7-8-26-20(14-16)28-19-6-2-5-18(27-19)15-3-1-4-17(13-15)29-11-9-25-10-12-29/h1-8,13-14,25H,9-12H2,(H,26,27,28).
What are the key properties of 6-(3-piperazin-1-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
6-(3-piperazin-1-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 399.42 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-piperazin-1-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 56947354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).