1-(1,3-benzodioxol-5-yl)-3-(4,6-dimethyl-2-pyridinyl)urea

C15H15N3O3 — CID 6466515

IUPAC1-(1,3-benzodioxol-5-yl)-3-(4,6-dimethyl-2-pyridinyl)urea
SMILESCc1cc(C)nc(NC(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C15H15N3O3/c1-9-5-10(2)16-14(6-9)18-15(19)17-11-3-4-12-13(7-11)21-8-20-12/h3-7H,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyAQSAVGGUQNBCKZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.07
Rot. Bonds2

About 1-(1,3-benzodioxol-5-yl)-3-(4,6-dimethyl-2-pyridinyl)urea

1-(1,3-benzodioxol-5-yl)-3-(4,6-dimethyl-2-pyridinyl)urea (PubChem CID 6466515) 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-(4,6-dimethyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-3-(4,6-dimethyl-2-pyridinyl)urea
PubChem CID6466515
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(4,6-dimethyl-2-pyridinyl)urea
SMILESCc1cc(C)nc(NC(=O)Nc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C15H15N3O3/c1-9-5-10(2)16-14(6-9)18-15(19)17-11-3-4-12-13(7-11)21-8-20-12/h3-7H,8H2,1-2H3,(H2,16,17,18,19)
InChIKeyAQSAVGGUQNBCKZ-UHFFFAOYSA-N
XLogP3.07
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(4,6-dimethyl-2-pyridinyl)urea?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-3-(4,6-dimethyl-2-pyridinyl)urea (CID 6466515) is 1-(1,3-benzodioxol-5-yl)-3-(4,6-dimethyl-2-pyridinyl)urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-3-(4,6-dimethyl-2-pyridinyl)urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-3-(4,6-dimethyl-2-pyridinyl)urea is Cc1cc(C)nc(NC(=O)Nc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-3-(4,6-dimethyl-2-pyridinyl)urea?
The InChIKey is AQSAVGGUQNBCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-9-5-10(2)16-14(6-9)18-15(19)17-11-3-4-12-13(7-11)21-8-20-12/h3-7H,8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-(1,3-benzodioxol-5-yl)-3-(4,6-dimethyl-2-pyridinyl)urea?
1-(1,3-benzodioxol-5-yl)-3-(4,6-dimethyl-2-pyridinyl)urea has a molecular weight of 285.30 g/mol, XLogP of 3.07, 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-(4,6-dimethyl-2-pyridinyl)urea is sourced from PubChem (CID 6466515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).