N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]acetamide

C19H18N4O2S — CID 118715091

IUPACN-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]acetamide
SMILESCCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(C)=O
InChIInChI=1S/C19H18N4O2S/c1-3-15-16(7-6-10-20-15)25-17-11-14(12-22-19(17)23-13(2)24)26-18-8-4-5-9-21-18/h4-12H,3H2,1-2H3,(H,22,23,24)
InChIKeyFTGAXNLDYHSFJB-UHFFFAOYSA-N
MW366.45 g/mol
LogP4.34
Rot. Bonds6

About N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]acetamide

N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]acetamide (PubChem CID 118715091) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]acetamide
PubChem CID118715091
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]acetamide
SMILESCCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(C)=O
InChIInChI=1S/C19H18N4O2S/c1-3-15-16(7-6-10-20-15)25-17-11-14(12-22-19(17)23-13(2)24)26-18-8-4-5-9-21-18/h4-12H,3H2,1-2H3,(H,22,23,24)
InChIKeyFTGAXNLDYHSFJB-UHFFFAOYSA-N
XLogP4.34
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]acetamide?
The IUPAC name of N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]acetamide (CID 118715091) is N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]acetamide.
What is the SMILES notation for N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]acetamide?
The canonical SMILES for N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]acetamide is CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(C)=O.
What is the InChIKey of N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]acetamide?
The InChIKey is FTGAXNLDYHSFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-3-15-16(7-6-10-20-15)25-17-11-14(12-22-19(17)23-13(2)24)26-18-8-4-5-9-21-18/h4-12H,3H2,1-2H3,(H,22,23,24).
What are the key properties of N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]acetamide?
N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]acetamide has a molecular weight of 366.45 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]acetamide is sourced from PubChem (CID 118715091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).