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

C18H17N5O2S — CID 118715094

IUPAC[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea
SMILESCCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(N)=O
InChIInChI=1S/C18H17N5O2S/c1-2-13-14(6-5-9-20-13)25-15-10-12(11-22-17(15)23-18(19)24)26-16-7-3-4-8-21-16/h3-11H,2H2,1H3,(H3,19,22,23,24)
InChIKeyCFSIKHDUZWFTKM-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.87
Rot. Bonds6

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

[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea (PubChem CID 118715094) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is [3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea.

Molecular Properties

Compound Name[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea
PubChem CID118715094
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea
SMILESCCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(N)=O
InChIInChI=1S/C18H17N5O2S/c1-2-13-14(6-5-9-20-13)25-15-10-12(11-22-17(15)23-18(19)24)26-16-7-3-4-8-21-16/h3-11H,2H2,1H3,(H3,19,22,23,24)
InChIKeyCFSIKHDUZWFTKM-UHFFFAOYSA-N
XLogP3.87
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea?
The IUPAC name of [3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea (CID 118715094) is [3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea.
What is the SMILES notation for [3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea?
The canonical SMILES for [3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea is CCc1ncccc1Oc1cc(Sc2ccccn2)cnc1NC(N)=O.
What is the InChIKey of [3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea?
The InChIKey is CFSIKHDUZWFTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-2-13-14(6-5-9-20-13)25-15-10-12(11-22-17(15)23-18(19)24)26-16-7-3-4-8-21-16/h3-11H,2H2,1H3,(H3,19,22,23,24).
What are the key properties of [3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea?
[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea has a molecular weight of 367.43 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea is sourced from PubChem (CID 118715094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).