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

C20H19F3N6 — CID 56947357

IUPAC6-(2-piperazin-1-yl-4-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2cccc(-c3ccnc(N4CCNCC4)c3)n2)c1
InChIInChI=1S/C20H19F3N6/c21-20(22,23)15-5-7-25-18(13-15)28-17-3-1-2-16(27-17)14-4-6-26-19(12-14)29-10-8-24-9-11-29/h1-7,12-13,24H,8-11H2,(H,25,27,28)
InChIKeyXRLGCIOJJJKSER-UHFFFAOYSA-N
MW400.41 g/mol
LogP3.71
Rot. Bonds4

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

6-(2-piperazin-1-yl-4-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 56947357) has the molecular formula C20H19F3N6 and a molecular weight of 400.41 g/mol. Its IUPAC name is 6-(2-piperazin-1-yl-4-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name6-(2-piperazin-1-yl-4-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID56947357
Molecular FormulaC20H19F3N6
Molecular Weight400.41 g/mol
Exact Mass400.16
IUPAC Name6-(2-piperazin-1-yl-4-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESFC(F)(F)c1ccnc(Nc2cccc(-c3ccnc(N4CCNCC4)c3)n2)c1
InChIInChI=1S/C20H19F3N6/c21-20(22,23)15-5-7-25-18(13-15)28-17-3-1-2-16(27-17)14-4-6-26-19(12-14)29-10-8-24-9-11-29/h1-7,12-13,24H,8-11H2,(H,25,27,28)
InChIKeyXRLGCIOJJJKSER-UHFFFAOYSA-N
XLogP3.71
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-piperazin-1-yl-4-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 6-(2-piperazin-1-yl-4-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 56947357) is 6-(2-piperazin-1-yl-4-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 6-(2-piperazin-1-yl-4-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 6-(2-piperazin-1-yl-4-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is FC(F)(F)c1ccnc(Nc2cccc(-c3ccnc(N4CCNCC4)c3)n2)c1.
What is the InChIKey of 6-(2-piperazin-1-yl-4-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is XRLGCIOJJJKSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6/c21-20(22,23)15-5-7-25-18(13-15)28-17-3-1-2-16(27-17)14-4-6-26-19(12-14)29-10-8-24-9-11-29/h1-7,12-13,24H,8-11H2,(H,25,27,28).
What are the key properties of 6-(2-piperazin-1-yl-4-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
6-(2-piperazin-1-yl-4-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 400.41 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-piperazin-1-yl-4-pyridinyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 56947357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).