1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea

C19H17N3O4 — CID 91625580

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea
SMILESO=C(NCc1ccc(-c2ccco2)nc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H17N3O4/c23-19(21-9-13-4-6-17-18(8-13)26-12-25-17)22-11-14-3-5-15(20-10-14)16-2-1-7-24-16/h1-8,10H,9,11-12H2,(H2,21,22,23)
InChIKeyZQBVOBIEVDTQPO-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.07
Rot. Bonds5

About 1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea

1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea (PubChem CID 91625580) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea
PubChem CID91625580
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea
SMILESO=C(NCc1ccc(-c2ccco2)nc1)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C19H17N3O4/c23-19(21-9-13-4-6-17-18(8-13)26-12-25-17)22-11-14-3-5-15(20-10-14)16-2-1-7-24-16/h1-8,10H,9,11-12H2,(H2,21,22,23)
InChIKeyZQBVOBIEVDTQPO-UHFFFAOYSA-N
XLogP3.07
TPSA85.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea with MolForge

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Related Compounds

1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
CID 91625575
N-(1,3-benzodioxol-5-ylmethylcarbamoyl)furan-2-carboxamide
CID 110866090
1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-thiophen-2-ylurea
CID 91816080
1-[[6-(furan-2-yl)-3-pyridinyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 91625574
1-amino-3-(1,3-benzodioxol-5-ylmethyl)urea
CID 62905779
N-(1,3-benzodioxol-5-ylmethyl)-6-(furan-2-ylmethylamino)pyridine-3-carboxamide
CID 109155289
1-(1,3-benzodioxol-5-ylmethyl)-3-propylurea
CID 17277591
1-(1,3-benzodioxol-5-ylmethyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 47093365
N-[[6-(furan-2-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 91625527
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513266
3-(1,3-benzodioxol-5-ylmethylcarbamoylamino)-2-hydroxypropanoic acid
CID 66164930
N-(1,3-benzodioxol-5-ylmethyl)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]acetamide
CID 8917883

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea (CID 91625580) is 1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea is O=C(NCc1ccc(-c2ccco2)nc1)NCc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea?
The InChIKey is ZQBVOBIEVDTQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-19(21-9-13-4-6-17-18(8-13)26-12-25-17)22-11-14-3-5-15(20-10-14)16-2-1-7-24-16/h1-8,10H,9,11-12H2,(H2,21,22,23).
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea?
1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea has a molecular weight of 351.36 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-3-[[6-(furan-2-yl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 91625580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).