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

C20H21N5O2S — CID 118715093

IUPAC1-ethyl-3-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea
SMILESCCNC(=O)Nc1ncc(Sc2ccccn2)cc1Oc1cccnc1CC
InChIInChI=1S/C20H21N5O2S/c1-3-15-16(8-7-11-22-15)27-17-12-14(28-18-9-5-6-10-23-18)13-24-19(17)25-20(26)21-4-2/h5-13H,3-4H2,1-2H3,(H2,21,24,25,26)
InChIKeyJRYJOYINDXAPDH-UHFFFAOYSA-N
MW395.49 g/mol
LogP4.52
Rot. Bonds7

About 1-ethyl-3-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea

1-ethyl-3-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea (PubChem CID 118715093) has the molecular formula C20H21N5O2S and a molecular weight of 395.49 g/mol. Its IUPAC name is 1-ethyl-3-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea
PubChem CID118715093
Molecular FormulaC20H21N5O2S
Molecular Weight395.49 g/mol
Exact Mass395.14
IUPAC Name1-ethyl-3-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea
SMILESCCNC(=O)Nc1ncc(Sc2ccccn2)cc1Oc1cccnc1CC
InChIInChI=1S/C20H21N5O2S/c1-3-15-16(8-7-11-22-15)27-17-12-14(28-18-9-5-6-10-23-18)13-24-19(17)25-20(26)21-4-2/h5-13H,3-4H2,1-2H3,(H2,21,24,25,26)
InChIKeyJRYJOYINDXAPDH-UHFFFAOYSA-N
XLogP4.52
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea?
The IUPAC name of 1-ethyl-3-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea (CID 118715093) is 1-ethyl-3-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea.
What is the SMILES notation for 1-ethyl-3-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea?
The canonical SMILES for 1-ethyl-3-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea is CCNC(=O)Nc1ncc(Sc2ccccn2)cc1Oc1cccnc1CC.
What is the InChIKey of 1-ethyl-3-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea?
The InChIKey is JRYJOYINDXAPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2S/c1-3-15-16(8-7-11-22-15)27-17-12-14(28-18-9-5-6-10-23-18)13-24-19(17)25-20(26)21-4-2/h5-13H,3-4H2,1-2H3,(H2,21,24,25,26).
What are the key properties of 1-ethyl-3-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea?
1-ethyl-3-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea has a molecular weight of 395.49 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[(2-ethyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]urea is sourced from PubChem (CID 118715093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).