3-[6-[5-(trifluoromethyl)thiophen-3-yl]oxy-2-pyridinyl]propanamide

C13H11F3N2O2S — CID 57000192

IUPAC3-[6-[5-(trifluoromethyl)thiophen-3-yl]oxy-2-pyridinyl]propanamide
SMILESNC(=O)CCc1cccc(Oc2csc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H11F3N2O2S/c14-13(15,16)10-6-9(7-21-10)20-12-3-1-2-8(18-12)4-5-11(17)19/h1-3,6-7H,4-5H2,(H2,17,19)
InChIKeyNACLKSKFQNUKCE-UHFFFAOYSA-N
MW316.30 g/mol
LogP3.37
Rot. Bonds5

About 3-[6-[5-(trifluoromethyl)thiophen-3-yl]oxy-2-pyridinyl]propanamide

3-[6-[5-(trifluoromethyl)thiophen-3-yl]oxy-2-pyridinyl]propanamide (PubChem CID 57000192) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is 3-[6-[5-(trifluoromethyl)thiophen-3-yl]oxy-2-pyridinyl]propanamide.

Molecular Properties

Compound Name3-[6-[5-(trifluoromethyl)thiophen-3-yl]oxy-2-pyridinyl]propanamide
PubChem CID57000192
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC Name3-[6-[5-(trifluoromethyl)thiophen-3-yl]oxy-2-pyridinyl]propanamide
SMILESNC(=O)CCc1cccc(Oc2csc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H11F3N2O2S/c14-13(15,16)10-6-9(7-21-10)20-12-3-1-2-8(18-12)4-5-11(17)19/h1-3,6-7H,4-5H2,(H2,17,19)
InChIKeyNACLKSKFQNUKCE-UHFFFAOYSA-N
XLogP3.37
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine-2-carboxamide
CID 11222778
N-methyl-4-[6-[5-(trifluoromethyl)thiophen-3-yl]oxy-2-pyridinyl]benzamide
CID 173291686
4-propyl-2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine
CID 15477077
4-methyl-2-[5-(trifluoromethyl)thiophen-2-yl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine
CID 54203622
4-chloro-2-[4-(trifluoromethyl)phenyl]-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyrimidine
CID 15477079
4-methyl-2-(thiophen-2-ylmethoxy)-6-[5-(trifluoromethyl)thiophen-3-yl]oxypyridine
CID 54250660
2-amino-3-methyl-5-(6-phenoxy-2-pyridinyl)pentanoic acid
CID 57138403
4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid
CID 66436274
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
CID 4271775
3-[3-(trifluoromethyl)phenoxy]propanamide
CID 55207241
3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid
CID 22717208
(6-phenoxy-2-pyridinyl)methyl 2-(2-benzothiophen-1-yl)-3-methylbutanoate
CID 23340422

Frequently Asked Questions

What is the IUPAC name of 3-[6-[5-(trifluoromethyl)thiophen-3-yl]oxy-2-pyridinyl]propanamide?
The IUPAC name of 3-[6-[5-(trifluoromethyl)thiophen-3-yl]oxy-2-pyridinyl]propanamide (CID 57000192) is 3-[6-[5-(trifluoromethyl)thiophen-3-yl]oxy-2-pyridinyl]propanamide.
What is the SMILES notation for 3-[6-[5-(trifluoromethyl)thiophen-3-yl]oxy-2-pyridinyl]propanamide?
The canonical SMILES for 3-[6-[5-(trifluoromethyl)thiophen-3-yl]oxy-2-pyridinyl]propanamide is NC(=O)CCc1cccc(Oc2csc(C(F)(F)F)c2)n1.
What is the InChIKey of 3-[6-[5-(trifluoromethyl)thiophen-3-yl]oxy-2-pyridinyl]propanamide?
The InChIKey is NACLKSKFQNUKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c14-13(15,16)10-6-9(7-21-10)20-12-3-1-2-8(18-12)4-5-11(17)19/h1-3,6-7H,4-5H2,(H2,17,19).
What are the key properties of 3-[6-[5-(trifluoromethyl)thiophen-3-yl]oxy-2-pyridinyl]propanamide?
3-[6-[5-(trifluoromethyl)thiophen-3-yl]oxy-2-pyridinyl]propanamide has a molecular weight of 316.30 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[5-(trifluoromethyl)thiophen-3-yl]oxy-2-pyridinyl]propanamide is sourced from PubChem (CID 57000192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).