1-(3-ethoxy-2-methoxycyclobutyl)-3-pyridin-4-ylurea

C13H19N3O3 — CID 75457928

IUPAC1-(3-ethoxy-2-methoxycyclobutyl)-3-pyridin-4-ylurea
SMILESCCOC1CC(NC(=O)Nc2ccncc2)C1OC
InChIInChI=1S/C13H19N3O3/c1-3-19-11-8-10(12(11)18-2)16-13(17)15-9-4-6-14-7-5-9/h4-7,10-12H,3,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyOXQFACBSTGOTIJ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.40
Rot. Bonds5

About 1-(3-ethoxy-2-methoxycyclobutyl)-3-pyridin-4-ylurea

1-(3-ethoxy-2-methoxycyclobutyl)-3-pyridin-4-ylurea (PubChem CID 75457928) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(3-ethoxy-2-methoxycyclobutyl)-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-(3-ethoxy-2-methoxycyclobutyl)-3-pyridin-4-ylurea
PubChem CID75457928
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(3-ethoxy-2-methoxycyclobutyl)-3-pyridin-4-ylurea
SMILESCCOC1CC(NC(=O)Nc2ccncc2)C1OC
InChIInChI=1S/C13H19N3O3/c1-3-19-11-8-10(12(11)18-2)16-13(17)15-9-4-6-14-7-5-9/h4-7,10-12H,3,8H2,1-2H3,(H2,14,15,16,17)
InChIKeyOXQFACBSTGOTIJ-UHFFFAOYSA-N
XLogP1.40
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-2-methoxycyclobutyl)-3-pyridin-4-ylurea?
The IUPAC name of 1-(3-ethoxy-2-methoxycyclobutyl)-3-pyridin-4-ylurea (CID 75457928) is 1-(3-ethoxy-2-methoxycyclobutyl)-3-pyridin-4-ylurea.
What is the SMILES notation for 1-(3-ethoxy-2-methoxycyclobutyl)-3-pyridin-4-ylurea?
The canonical SMILES for 1-(3-ethoxy-2-methoxycyclobutyl)-3-pyridin-4-ylurea is CCOC1CC(NC(=O)Nc2ccncc2)C1OC.
What is the InChIKey of 1-(3-ethoxy-2-methoxycyclobutyl)-3-pyridin-4-ylurea?
The InChIKey is OXQFACBSTGOTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-19-11-8-10(12(11)18-2)16-13(17)15-9-4-6-14-7-5-9/h4-7,10-12H,3,8H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 1-(3-ethoxy-2-methoxycyclobutyl)-3-pyridin-4-ylurea?
1-(3-ethoxy-2-methoxycyclobutyl)-3-pyridin-4-ylurea has a molecular weight of 265.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-2-methoxycyclobutyl)-3-pyridin-4-ylurea is sourced from PubChem (CID 75457928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).