1-(1,3-benzodioxol-5-yl)-3-(5-methyl-2-pyridinyl)urea

C14H13N3O3 — CID 6464804

IUPAC1-(1,3-benzodioxol-5-yl)-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C14H13N3O3/c1-9-2-5-13(15-7-9)17-14(18)16-10-3-4-11-12(6-10)20-8-19-11/h2-7H,8H2,1H3,(H2,15,16,17,18)
InChIKeyMITSWDZAUHWZLQ-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.76
Rot. Bonds2

About 1-(1,3-benzodioxol-5-yl)-3-(5-methyl-2-pyridinyl)urea

1-(1,3-benzodioxol-5-yl)-3-(5-methyl-2-pyridinyl)urea (PubChem CID 6464804) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-3-(5-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-(5-methyl-2-pyridinyl)urea
PubChem CID6464804
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C14H13N3O3/c1-9-2-5-13(15-7-9)17-14(18)16-10-3-4-11-12(6-10)20-8-19-11/h2-7H,8H2,1H3,(H2,15,16,17,18)
InChIKeyMITSWDZAUHWZLQ-UHFFFAOYSA-N
XLogP2.76
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-benzodioxol-5-yl)-3-(5-methyl-2-pyridinyl)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-(5-methyl-2-pyridinyl)urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(5-methyl-2-pyridinyl)urea (CID 6464804) is 1-(1,3-benzodioxol-5-yl)-3-(5-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(5-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(5-methyl-2-pyridinyl)urea is Cc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)nc1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(5-methyl-2-pyridinyl)urea?
The InChIKey is MITSWDZAUHWZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9-2-5-13(15-7-9)17-14(18)16-10-3-4-11-12(6-10)20-8-19-11/h2-7H,8H2,1H3,(H2,15,16,17,18).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-(5-methyl-2-pyridinyl)urea?
1-(1,3-benzodioxol-5-yl)-3-(5-methyl-2-pyridinyl)urea has a molecular weight of 271.28 g/mol, XLogP of 2.76, 2 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-(5-methyl-2-pyridinyl)urea is sourced from PubChem (CID 6464804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).