N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide

C13H13F3N4O2 — CID 134143904

IUPACN-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1nc(C(F)(F)F)ccc1-c1nnc(CC)o1
InChIInChI=1S/C13H13F3N4O2/c1-3-9(21)18-11-7(12-20-19-10(4-2)22-12)5-6-8(17-11)13(14,15)16/h5-6H,3-4H2,1-2H3,(H,17,18,21)
InChIKeyRQBLQSJYRYZLOI-UHFFFAOYSA-N
MW314.27 g/mol
LogP3.06
Rot. Bonds4

About N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide

N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 134143904) has the molecular formula C13H13F3N4O2 and a molecular weight of 314.27 g/mol. Its IUPAC name is N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID134143904
Molecular FormulaC13H13F3N4O2
Molecular Weight314.27 g/mol
Exact Mass314.10
IUPAC NameN-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1nc(C(F)(F)F)ccc1-c1nnc(CC)o1
InChIInChI=1S/C13H13F3N4O2/c1-3-9(21)18-11-7(12-20-19-10(4-2)22-12)5-6-8(17-11)13(14,15)16/h5-6H,3-4H2,1-2H3,(H,17,18,21)
InChIKeyRQBLQSJYRYZLOI-UHFFFAOYSA-N
XLogP3.06
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

flupyrsulfuron-methyl TP4
CID 100975561
3-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine
CID 134132159
3-[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl]-6-(trifluoromethyl)pyridin-2-amine
CID 134136485
N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]benzamide
CID 134141890
N-[3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]butanamide
CID 134143847
N-(3-fluorophenyl)-3-(5-propyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)pyridin-2-amine
CID 134146064
3-(5-ethyl-1,3,4-oxadiazol-2-yl)-N-(3-fluorophenyl)-6-(trifluoromethyl)pyridin-2-amine
CID 134153275
6-(Trifluoromethyl)-3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]pyridin-2-amine
CID 134154158
6-Methyl-5-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 177659555
Methyl 2-[(3-ethoxy-3-oxopropanoyl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate
CID 57671468
N-[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyridin-2-yl]acetamide
CID 151726253
2-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]pyridine-2,3-diamine
CID 155712019

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide (CID 134143904) is N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide is CCC(=O)Nc1nc(C(F)(F)F)ccc1-c1nnc(CC)o1.
What is the InChIKey of N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is RQBLQSJYRYZLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O2/c1-3-9(21)18-11-7(12-20-19-10(4-2)22-12)5-6-8(17-11)13(14,15)16/h5-6H,3-4H2,1-2H3,(H,17,18,21).
What are the key properties of N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide?
N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 314.27 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-ethyl-1,3,4-oxadiazol-2-yl)-6-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 134143904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).