1-(1,3-benzodioxol-5-yl)-3-(1-pyridin-4-ylethyl)urea

C15H15N3O3 — CID 6466917

IUPAC1-(1,3-benzodioxol-5-yl)-3-(1-pyridin-4-ylethyl)urea
SMILESCC(NC(=O)Nc1ccc2c(c1)OCO2)c1ccncc1
InChIInChI=1S/C15H15N3O3/c1-10(11-4-6-16-7-5-11)17-15(19)18-12-2-3-13-14(8-12)21-9-20-13/h2-8,10H,9H2,1H3,(H2,17,18,19)
InChIKeyGMRJPCUTGIBZDV-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.69
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-3-(1-pyridin-4-ylethyl)urea

1-(1,3-benzodioxol-5-yl)-3-(1-pyridin-4-ylethyl)urea (PubChem CID 6466917) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-(1-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-(1-pyridin-4-ylethyl)urea
PubChem CID6466917
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(1-pyridin-4-ylethyl)urea
SMILESCC(NC(=O)Nc1ccc2c(c1)OCO2)c1ccncc1
InChIInChI=1S/C15H15N3O3/c1-10(11-4-6-16-7-5-11)17-15(19)18-12-2-3-13-14(8-12)21-9-20-13/h2-8,10H,9H2,1H3,(H2,17,18,19)
InChIKeyGMRJPCUTGIBZDV-UHFFFAOYSA-N
XLogP2.69
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-benzodioxol-5-yl)-3-(1-pyridin-4-ylethyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(1-pyridin-4-ylethyl)urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(1-pyridin-4-ylethyl)urea (CID 6466917) is 1-(1,3-benzodioxol-5-yl)-3-(1-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(1-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(1-pyridin-4-ylethyl)urea is CC(NC(=O)Nc1ccc2c(c1)OCO2)c1ccncc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(1-pyridin-4-ylethyl)urea?
The InChIKey is GMRJPCUTGIBZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10(11-4-6-16-7-5-11)17-15(19)18-12-2-3-13-14(8-12)21-9-20-13/h2-8,10H,9H2,1H3,(H2,17,18,19).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-(1-pyridin-4-ylethyl)urea?
1-(1,3-benzodioxol-5-yl)-3-(1-pyridin-4-ylethyl)urea has a molecular weight of 285.30 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-3-(1-pyridin-4-ylethyl)urea is sourced from PubChem (CID 6466917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).