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

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Related Compounds

1-(4-Methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3802701
N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 961305
1-(1,3-Benzodioxol-5-yl)-3-(3-pyridinylmethyl)urea
CID 971608
N-1,3-benzodioxol-5-yl-N'-[1-(1-ethyl-3-methyl-1H-pyrazol-4-yl)ethyl]urea
CID 2955517
1-(3,4-Dimethoxyphenyl)-3-(1-pyridin-4-ylethyl)thiourea
CID 2956389
N'-(1,3-benzodioxol-5-yl)-N-(pyridin-3-ylmethyl)oxamide
CID 3149536
N-(1,3-benzodioxol-5-yl)pyridine-4-carboxamide
CID 756817
N-1,3-benzodioxol-5-yl-N'-(2-pyridinylmethyl)urea
CID 971167
Benzo[1,3]dioxol-5-yl-pyridin-4-ylmethyl-amine
CID 1087209
1-(Pyridin-4-ylmethyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 2330745
N-Benzo[1,3]dioxol-5-yl-N-[(3-methyl-butylcarbamoyl)-methyl]-N'-pyridin-2-yl-succinamide
CID 649507
1-(1,3-Benzodioxol-5-yl)-3-pyridin-3-ylurea
CID 970916

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).