1-(5-cyclobutyl-2-pyridinyl)-3-(2,3-dimethyloxolan-3-yl)urea

C16H23N3O2 — CID 128636155

IUPAC1-(5-cyclobutyl-2-pyridinyl)-3-(2,3-dimethyloxolan-3-yl)urea
SMILESCC1OCCC1(C)NC(=O)Nc1ccc(C2CCC2)cn1
InChIInChI=1S/C16H23N3O2/c1-11-16(2,8-9-21-11)19-15(20)18-14-7-6-13(10-17-14)12-4-3-5-12/h6-7,10-12H,3-5,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyDLEYWNCYLQQFKB-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.04
Rot. Bonds3

About 1-(5-cyclobutyl-2-pyridinyl)-3-(2,3-dimethyloxolan-3-yl)urea

1-(5-cyclobutyl-2-pyridinyl)-3-(2,3-dimethyloxolan-3-yl)urea (PubChem CID 128636155) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(5-cyclobutyl-2-pyridinyl)-3-(2,3-dimethyloxolan-3-yl)urea.

Molecular Properties

Compound Name1-(5-cyclobutyl-2-pyridinyl)-3-(2,3-dimethyloxolan-3-yl)urea
PubChem CID128636155
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(5-cyclobutyl-2-pyridinyl)-3-(2,3-dimethyloxolan-3-yl)urea
SMILESCC1OCCC1(C)NC(=O)Nc1ccc(C2CCC2)cn1
InChIInChI=1S/C16H23N3O2/c1-11-16(2,8-9-21-11)19-15(20)18-14-7-6-13(10-17-14)12-4-3-5-12/h6-7,10-12H,3-5,8-9H2,1-2H3,(H2,17,18,19,20)
InChIKeyDLEYWNCYLQQFKB-UHFFFAOYSA-N
XLogP3.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclobutyl-2-pyridinyl)-3-(2,3-dimethyloxolan-3-yl)urea?
The IUPAC name of 1-(5-cyclobutyl-2-pyridinyl)-3-(2,3-dimethyloxolan-3-yl)urea (CID 128636155) is 1-(5-cyclobutyl-2-pyridinyl)-3-(2,3-dimethyloxolan-3-yl)urea.
What is the SMILES notation for 1-(5-cyclobutyl-2-pyridinyl)-3-(2,3-dimethyloxolan-3-yl)urea?
The canonical SMILES for 1-(5-cyclobutyl-2-pyridinyl)-3-(2,3-dimethyloxolan-3-yl)urea is CC1OCCC1(C)NC(=O)Nc1ccc(C2CCC2)cn1.
What is the InChIKey of 1-(5-cyclobutyl-2-pyridinyl)-3-(2,3-dimethyloxolan-3-yl)urea?
The InChIKey is DLEYWNCYLQQFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-16(2,8-9-21-11)19-15(20)18-14-7-6-13(10-17-14)12-4-3-5-12/h6-7,10-12H,3-5,8-9H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 1-(5-cyclobutyl-2-pyridinyl)-3-(2,3-dimethyloxolan-3-yl)urea?
1-(5-cyclobutyl-2-pyridinyl)-3-(2,3-dimethyloxolan-3-yl)urea has a molecular weight of 289.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclobutyl-2-pyridinyl)-3-(2,3-dimethyloxolan-3-yl)urea is sourced from PubChem (CID 128636155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).