2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide

C23H24F3N7O2 — CID 70816010

IUPAC2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCc1nc(Oc2nc(C(F)(F)F)ccc2C(=O)Nc2ccccc2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C23H24F3N7O2/c1-3-18-29-21(33-13-11-32(2)12-14-33)31-22(30-18)35-20-16(9-10-17(28-20)23(24,25)26)19(34)27-15-7-5-4-6-8-15/h4-10H,3,11-14H2,1-2H3,(H,27,34)
InChIKeyDKXJHEZDIUETFK-UHFFFAOYSA-N
MW487.49 g/mol
LogP3.64
Rot. Bonds6

About 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide

2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 70816010) has the molecular formula C23H24F3N7O2 and a molecular weight of 487.49 g/mol. Its IUPAC name is 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID70816010
Molecular FormulaC23H24F3N7O2
Molecular Weight487.49 g/mol
Exact Mass487.19
IUPAC Name2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCc1nc(Oc2nc(C(F)(F)F)ccc2C(=O)Nc2ccccc2)nc(N2CCN(C)CC2)n1
InChIInChI=1S/C23H24F3N7O2/c1-3-18-29-21(33-13-11-32(2)12-14-33)31-22(30-18)35-20-16(9-10-17(28-20)23(24,25)26)19(34)27-15-7-5-4-6-8-15/h4-10H,3,11-14H2,1-2H3,(H,27,34)
InChIKeyDKXJHEZDIUETFK-UHFFFAOYSA-N
XLogP3.64
TPSA96.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenylpyridine-3-carboxamide
CID 70815636
6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-2-carboxamide
CID 70816129
N-[6-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-3-pyridinyl]benzamide
CID 70815466
2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide
CID 109302090
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 17444689
4-methyl-2-(4-methylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 66504153
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]amino]-N-(4-methylphenyl)pyridine-4-carboxamide
CID 70815864
N-(4-ethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345530
4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide
CID 53143924
6-[[4-[4-(3-chlorophenyl)piperazin-1-yl]-6-ethyl-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-3-carboxamide
CID 70816024
N-(3-ethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345557
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24573032

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 70816010) is 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide is CCc1nc(Oc2nc(C(F)(F)F)ccc2C(=O)Nc2ccccc2)nc(N2CCN(C)CC2)n1.
What is the InChIKey of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is DKXJHEZDIUETFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N7O2/c1-3-18-29-21(33-13-11-32(2)12-14-33)31-22(30-18)35-20-16(9-10-17(28-20)23(24,25)26)19(34)27-15-7-5-4-6-8-15/h4-10H,3,11-14H2,1-2H3,(H,27,34).
What are the key properties of 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 487.49 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-yl]oxy]-N-phenyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 70816010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).