N-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide

C20H16F3N5O3S — CID 176830696

IUPACN-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide
SMILESCc1nc(C)c(C(F)(F)F)cc1Oc1nc(-c2cncc(C#N)c2)ccc1NS(C)(=O)=O
InChIInChI=1S/C20H16F3N5O3S/c1-11-15(20(21,22)23)7-18(12(2)26-11)31-19-17(28-32(3,29)30)5-4-16(27-19)14-6-13(8-24)9-25-10-14/h4-7,9-10,28H,1-3H3
InChIKeyUEIMQVPYDPYAGY-UHFFFAOYSA-N
MW463.44 g/mol
LogP4.21
Rot. Bonds5

About N-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide

N-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide (PubChem CID 176830696) has the molecular formula C20H16F3N5O3S and a molecular weight of 463.44 g/mol. Its IUPAC name is N-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide
PubChem CID176830696
Molecular FormulaC20H16F3N5O3S
Molecular Weight463.44 g/mol
Exact Mass463.09
IUPAC NameN-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide
SMILESCc1nc(C)c(C(F)(F)F)cc1Oc1nc(-c2cncc(C#N)c2)ccc1NS(C)(=O)=O
InChIInChI=1S/C20H16F3N5O3S/c1-11-15(20(21,22)23)7-18(12(2)26-11)31-19-17(28-32(3,29)30)5-4-16(27-19)14-6-13(8-24)9-25-10-14/h4-7,9-10,28H,1-3H3
InChIKeyUEIMQVPYDPYAGY-UHFFFAOYSA-N
XLogP4.21
TPSA117.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide (CID 176830696) is N-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide is Cc1nc(C)c(C(F)(F)F)cc1Oc1nc(-c2cncc(C#N)c2)ccc1NS(C)(=O)=O.
What is the InChIKey of N-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide?
The InChIKey is UEIMQVPYDPYAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O3S/c1-11-15(20(21,22)23)7-18(12(2)26-11)31-19-17(28-32(3,29)30)5-4-16(27-19)14-6-13(8-24)9-25-10-14/h4-7,9-10,28H,1-3H3.
What are the key properties of N-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide?
N-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide has a molecular weight of 463.44 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-cyano-3-pyridinyl)-2-[[2,6-dimethyl-5-(trifluoromethyl)-3-pyridinyl]oxy]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 176830696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).