1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(furan-3-yl)-3-pyridinyl]methyl]urea

C19H17N3O4 — CID 121022475

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(furan-3-yl)-3-pyridinyl]methyl]urea
SMILESO=C(NCc1ccc(-c2ccoc2)nc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H17N3O4/c23-19(22-15-2-4-17-18(9-15)26-8-7-25-17)21-11-13-1-3-16(20-10-13)14-5-6-24-12-14/h1-6,9-10,12H,7-8,11H2,(H2,21,22,23)
InChIKeyGXJYTAMCTUBJJE-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.43
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(furan-3-yl)-3-pyridinyl]methyl]urea

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(furan-3-yl)-3-pyridinyl]methyl]urea (PubChem CID 121022475) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(furan-3-yl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(furan-3-yl)-3-pyridinyl]methyl]urea
PubChem CID121022475
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(furan-3-yl)-3-pyridinyl]methyl]urea
SMILESO=C(NCc1ccc(-c2ccoc2)nc1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H17N3O4/c23-19(22-15-2-4-17-18(9-15)26-8-7-25-17)21-11-13-1-3-16(20-10-13)14-5-6-24-12-14/h1-6,9-10,12H,7-8,11H2,(H2,21,22,23)
InChIKeyGXJYTAMCTUBJJE-UHFFFAOYSA-N
XLogP3.43
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(furan-3-yl)-3-pyridinyl]methyl]urea with MolForge

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(furan-3-ylmethyl)urea
CID 51083551
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]cyclohexanecarboxamide
CID 121196766
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]urea
CID 91967171
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135231273
2-fluoro-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]benzamide
CID 121196604
2-(3,4-dimethoxyphenyl)-N-[[6-(furan-3-yl)-3-pyridinyl]methyl]acetamide
CID 121196651
1-(1,3-benzodioxol-5-yl)-3-[[4-[(1R)-1-hydroxyethyl]phenyl]methyl]urea
CID 94504177
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-3-phenylbutanamide
CID 121196825
4-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-3-methylbutanoic acid
CID 81066358
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 51310778
1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea
CID 91625580
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047812

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(furan-3-yl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(furan-3-yl)-3-pyridinyl]methyl]urea (CID 121022475) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(furan-3-yl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(furan-3-yl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(furan-3-yl)-3-pyridinyl]methyl]urea is O=C(NCc1ccc(-c2ccoc2)nc1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(furan-3-yl)-3-pyridinyl]methyl]urea?
The InChIKey is GXJYTAMCTUBJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-19(22-15-2-4-17-18(9-15)26-8-7-25-17)21-11-13-1-3-16(20-10-13)14-5-6-24-12-14/h1-6,9-10,12H,7-8,11H2,(H2,21,22,23).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(furan-3-yl)-3-pyridinyl]methyl]urea?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(furan-3-yl)-3-pyridinyl]methyl]urea has a molecular weight of 351.36 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[6-(furan-3-yl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 121022475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).