N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide

C17H12F3N5O3S — CID 70814594

IUPACN-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide
SMILESCc1nc(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)nc(-c2ccccn2)n1
InChIInChI=1S/C17H12F3N5O3S/c1-10-22-14(13-4-2-3-9-21-13)24-16(23-10)25-15(26)11-5-7-12(8-6-11)29(27,28)17(18,19)20/h2-9H,1H3,(H,22,23,24,25,26)
InChIKeyXCYAELYEJUDSRL-UHFFFAOYSA-N
MW423.38 g/mol
LogP2.79
Rot. Bonds4

About N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide

N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide (PubChem CID 70814594) has the molecular formula C17H12F3N5O3S and a molecular weight of 423.38 g/mol. Its IUPAC name is N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide
PubChem CID70814594
Molecular FormulaC17H12F3N5O3S
Molecular Weight423.38 g/mol
Exact Mass423.06
IUPAC NameN-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide
SMILESCc1nc(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)nc(-c2ccccn2)n1
InChIInChI=1S/C17H12F3N5O3S/c1-10-22-14(13-4-2-3-9-21-13)24-16(23-10)25-15(26)11-5-7-12(8-6-11)29(27,28)17(18,19)20/h2-9H,1H3,(H,22,23,24,25,26)
InChIKeyXCYAELYEJUDSRL-UHFFFAOYSA-N
XLogP2.79
TPSA114.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide?
The IUPAC name of N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide (CID 70814594) is N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide?
The canonical SMILES for N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide is Cc1nc(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)nc(-c2ccccn2)n1.
What is the InChIKey of N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide?
The InChIKey is XCYAELYEJUDSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O3S/c1-10-22-14(13-4-2-3-9-21-13)24-16(23-10)25-15(26)11-5-7-12(8-6-11)29(27,28)17(18,19)20/h2-9H,1H3,(H,22,23,24,25,26).
What are the key properties of N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide?
N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide has a molecular weight of 423.38 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)-4-(trifluoromethylsulfonyl)benzamide is sourced from PubChem (CID 70814594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).