6-ethylsulfanyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-3-carboxamide

C16H17N5O2S — CID 56786930

IUPAC6-ethylsulfanyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-3-carboxamide
SMILESCCSc1ccc(C(=O)NCCc2nc(-c3ccco3)n[nH]2)cn1
InChIInChI=1S/C16H17N5O2S/c1-2-24-14-6-5-11(10-18-14)16(22)17-8-7-13-19-15(21-20-13)12-4-3-9-23-12/h3-6,9-10H,2,7-8H2,1H3,(H,17,22)(H,19,20,21)
InChIKeyXWCGIDNMXPPQJH-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.54
Rot. Bonds7

About 6-ethylsulfanyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-3-carboxamide

6-ethylsulfanyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-3-carboxamide (PubChem CID 56786930) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 6-ethylsulfanyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethylsulfanyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-3-carboxamide
PubChem CID56786930
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name6-ethylsulfanyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-3-carboxamide
SMILESCCSc1ccc(C(=O)NCCc2nc(-c3ccco3)n[nH]2)cn1
InChIInChI=1S/C16H17N5O2S/c1-2-24-14-6-5-11(10-18-14)16(22)17-8-7-13-19-15(21-20-13)12-4-3-9-23-12/h3-6,9-10H,2,7-8H2,1H3,(H,17,22)(H,19,20,21)
InChIKeyXWCGIDNMXPPQJH-UHFFFAOYSA-N
XLogP2.54
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-ethylsulfanyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-3-carboxamide (CID 56786930) is 6-ethylsulfanyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-ethylsulfanyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-ethylsulfanyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-3-carboxamide is CCSc1ccc(C(=O)NCCc2nc(-c3ccco3)n[nH]2)cn1.
What is the InChIKey of 6-ethylsulfanyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is XWCGIDNMXPPQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-2-24-14-6-5-11(10-18-14)16(22)17-8-7-13-19-15(21-20-13)12-4-3-9-23-12/h3-6,9-10H,2,7-8H2,1H3,(H,17,22)(H,19,20,21).
What are the key properties of 6-ethylsulfanyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-3-carboxamide?
6-ethylsulfanyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-N-[2-[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 56786930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).