N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide

C14H13F3N2O2S — CID 51133093

IUPACN-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cccnc2SC(F)(F)F)o1
InChIInChI=1S/C14H13F3N2O2S/c1-8-5-6-11(21-8)9(2)19-12(20)10-4-3-7-18-13(10)22-14(15,16)17/h3-7,9H,1-2H3,(H,19,20)
InChIKeyLWFRCJZZECRZGY-UHFFFAOYSA-N
MW330.33 g/mol
LogP4.09
Rot. Bonds4

About N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide

N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide (PubChem CID 51133093) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
PubChem CID51133093
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC NameN-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cccnc2SC(F)(F)F)o1
InChIInChI=1S/C14H13F3N2O2S/c1-8-5-6-11(21-8)9(2)19-12(20)10-4-3-7-18-13(10)22-14(15,16)17/h3-7,9H,1-2H3,(H,19,20)
InChIKeyLWFRCJZZECRZGY-UHFFFAOYSA-N
XLogP4.09
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide (CID 51133093) is N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide is Cc1ccc(C(C)NC(=O)c2cccnc2SC(F)(F)F)o1.
What is the InChIKey of N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is LWFRCJZZECRZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c1-8-5-6-11(21-8)9(2)19-12(20)10-4-3-7-18-13(10)22-14(15,16)17/h3-7,9H,1-2H3,(H,19,20).
What are the key properties of N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide?
N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 330.33 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylfuran-2-yl)ethyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 51133093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).