N-pyridin-3-yl-2-[4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]acetamide

C24H24F6N8O2 — CID 58039940

IUPACN-pyridin-3-yl-2-[4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(OCC(F)(F)F)n2)CC1)Nc1cccnc1
InChIInChI=1S/C24H24F6N8O2/c25-23(26,27)14-40-22-36-20(35-21(37-22)34-17-4-1-3-15(11-17)24(28,29)30)33-16-6-9-38(10-7-16)13-19(39)32-18-5-2-8-31-12-18/h1-5,8,11-12,16H,6-7,9-10,13-14H2,(H,32,39)(H2,33,34,35,36,37)
InChIKeyCZDCYBGAENFXQN-UHFFFAOYSA-N
MW570.50 g/mol
LogP4.49
Rot. Bonds9

About N-pyridin-3-yl-2-[4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]acetamide

N-pyridin-3-yl-2-[4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]acetamide (PubChem CID 58039940) has the molecular formula C24H24F6N8O2 and a molecular weight of 570.50 g/mol. Its IUPAC name is N-pyridin-3-yl-2-[4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-pyridin-3-yl-2-[4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]acetamide
PubChem CID58039940
Molecular FormulaC24H24F6N8O2
Molecular Weight570.50 g/mol
Exact Mass570.19
IUPAC NameN-pyridin-3-yl-2-[4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(OCC(F)(F)F)n2)CC1)Nc1cccnc1
InChIInChI=1S/C24H24F6N8O2/c25-23(26,27)14-40-22-36-20(35-21(37-22)34-17-4-1-3-15(11-17)24(28,29)30)33-16-6-9-38(10-7-16)13-19(39)32-18-5-2-8-31-12-18/h1-5,8,11-12,16H,6-7,9-10,13-14H2,(H,32,39)(H2,33,34,35,36,37)
InChIKeyCZDCYBGAENFXQN-UHFFFAOYSA-N
XLogP4.49
TPSA117.19 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.50
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-2-[4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]acetamide?
The IUPAC name of N-pyridin-3-yl-2-[4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]acetamide (CID 58039940) is N-pyridin-3-yl-2-[4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-pyridin-3-yl-2-[4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]acetamide?
The canonical SMILES for N-pyridin-3-yl-2-[4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]acetamide is O=C(CN1CCC(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(OCC(F)(F)F)n2)CC1)Nc1cccnc1.
What is the InChIKey of N-pyridin-3-yl-2-[4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]acetamide?
The InChIKey is CZDCYBGAENFXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F6N8O2/c25-23(26,27)14-40-22-36-20(35-21(37-22)34-17-4-1-3-15(11-17)24(28,29)30)33-16-6-9-38(10-7-16)13-19(39)32-18-5-2-8-31-12-18/h1-5,8,11-12,16H,6-7,9-10,13-14H2,(H,32,39)(H2,33,34,35,36,37).
What are the key properties of N-pyridin-3-yl-2-[4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]acetamide?
N-pyridin-3-yl-2-[4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]acetamide has a molecular weight of 570.50 g/mol, XLogP of 4.49, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-2-[4-[[4-(2,2,2-trifluoroethoxy)-6-[3-(trifluoromethyl)anilino]-1,3,5-triazin-2-yl]amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 58039940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).