N-methyl-4-[[3-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide

C19H13F3N4O3S — CID 138549863

IUPACN-methyl-4-[[3-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(C)c(-c4noc(C(F)(F)F)n4)sc3c2)ccn1
InChIInChI=1S/C19H13F3N4O3S/c1-9-12-4-3-10(28-11-5-6-24-13(7-11)17(27)23-2)8-14(12)30-15(9)16-25-18(29-26-16)19(20,21)22/h3-8H,1-2H3,(H,23,27)
InChIKeyKYQPPTJIPCQWQJ-UHFFFAOYSA-N
MW434.40 g/mol
LogP4.83
Rot. Bonds4

About N-methyl-4-[[3-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide

N-methyl-4-[[3-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide (PubChem CID 138549863) has the molecular formula C19H13F3N4O3S and a molecular weight of 434.40 g/mol. Its IUPAC name is N-methyl-4-[[3-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[3-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide
PubChem CID138549863
Molecular FormulaC19H13F3N4O3S
Molecular Weight434.40 g/mol
Exact Mass434.07
IUPAC NameN-methyl-4-[[3-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(C)c(-c4noc(C(F)(F)F)n4)sc3c2)ccn1
InChIInChI=1S/C19H13F3N4O3S/c1-9-12-4-3-10(28-11-5-6-24-13(7-11)17(27)23-2)8-14(12)30-15(9)16-25-18(29-26-16)19(20,21)22/h3-8H,1-2H3,(H,23,27)
InChIKeyKYQPPTJIPCQWQJ-UHFFFAOYSA-N
XLogP4.83
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[3-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[[3-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide (CID 138549863) is N-methyl-4-[[3-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[[3-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[[3-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(C)c(-c4noc(C(F)(F)F)n4)sc3c2)ccn1.
What is the InChIKey of N-methyl-4-[[3-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide?
The InChIKey is KYQPPTJIPCQWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O3S/c1-9-12-4-3-10(28-11-5-6-24-13(7-11)17(27)23-2)8-14(12)30-15(9)16-25-18(29-26-16)19(20,21)22/h3-8H,1-2H3,(H,23,27).
What are the key properties of N-methyl-4-[[3-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide?
N-methyl-4-[[3-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide has a molecular weight of 434.40 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[3-methyl-2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1-benzothiophen-6-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 138549863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).