N-(3-cyanothiophen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C13H8F3N3O2S — CID 16571675

IUPACN-(3-cyanothiophen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESN#Cc1ccsc1NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H8F3N3O2S/c14-13(15,16)9-1-2-11(21)19(6-9)7-10(20)18-12-8(5-17)3-4-22-12/h1-4,6H,7H2,(H,18,20)
InChIKeyUFLZMUUWJHQLPR-UHFFFAOYSA-N
MW327.29 g/mol
LogP2.44
Rot. Bonds3

About N-(3-cyanothiophen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(3-cyanothiophen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 16571675) has the molecular formula C13H8F3N3O2S and a molecular weight of 327.29 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID16571675
Molecular FormulaC13H8F3N3O2S
Molecular Weight327.29 g/mol
Exact Mass327.03
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESN#Cc1ccsc1NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C13H8F3N3O2S/c14-13(15,16)9-1-2-11(21)19(6-9)7-10(20)18-12-8(5-17)3-4-22-12/h1-4,6H,7H2,(H,18,20)
InChIKeyUFLZMUUWJHQLPR-UHFFFAOYSA-N
XLogP2.44
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 16571675) is N-(3-cyanothiophen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is N#Cc1ccsc1NC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is UFLZMUUWJHQLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O2S/c14-13(15,16)9-1-2-11(21)19(6-9)7-10(20)18-12-8(5-17)3-4-22-12/h1-4,6H,7H2,(H,18,20).
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(3-cyanothiophen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 327.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 16571675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).