3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide

C17H11ClF3N3O2S — CID 110208713

IUPAC3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccccn1)c1sccc1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H11ClF3N3O2S/c18-12-7-10(17(19,20)21)8-24-16(12)26-13-4-6-27-14(13)15(25)23-9-11-3-1-2-5-22-11/h1-8H,9H2,(H,23,25)
InChIKeyHEOCTEOQLYWPTQ-UHFFFAOYSA-N
MW413.81 g/mol
LogP4.93
Rot. Bonds5

About 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide

3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 110208713) has the molecular formula C17H11ClF3N3O2S and a molecular weight of 413.81 g/mol. Its IUPAC name is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
PubChem CID110208713
Molecular FormulaC17H11ClF3N3O2S
Molecular Weight413.81 g/mol
Exact Mass413.02
IUPAC Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
SMILESO=C(NCc1ccccn1)c1sccc1Oc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H11ClF3N3O2S/c18-12-7-10(17(19,20)21)8-24-16(12)26-13-4-6-27-14(13)15(25)23-9-11-3-1-2-5-22-11/h1-8H,9H2,(H,23,25)
InChIKeyHEOCTEOQLYWPTQ-UHFFFAOYSA-N
XLogP4.93
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.81
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide
CID 1491777
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3-oxopropanoic acid
CID 1487270
3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-5-methyl-N-(pyridin-2-ylmethyl)pyrazole-1-carboxamide
CID 91337033
[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]methyl-(2-pyridin-2-ylethylsulfamoyl)carbamic acid
CID 90749044
5-chloro-2-methoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110762042
1-(pyridin-2-ylmethyl)-3-(trifluoromethyl)urea
CID 108865913
2,2,3,3-tetrafluoro-N,N'-bis(pyridin-2-ylmethyl)butanediamide
CID 2164897
3-chloro-2-(2-iodophenoxy)-5-(trifluoromethyl)pyridine
CID 63529961
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]-N-(2-pyridin-2-ylethyl)propane-1-sulfonamide
CID 69110293
5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110761323
3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 138023481
3-(3-hydroxyprop-1-ynyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 63798846

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide (CID 110208713) is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide is O=C(NCc1ccccn1)c1sccc1Oc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is HEOCTEOQLYWPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O2S/c18-12-7-10(17(19,20)21)8-24-16(12)26-13-4-6-27-14(13)15(25)23-9-11-3-1-2-5-22-11/h1-8H,9H2,(H,23,25).
What are the key properties of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide?
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 413.81 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 110208713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).