1-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylurea

C16H15N3O2 — CID 134056773

IUPAC1-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylurea
SMILESCC(NC(=O)Nc1cccnc1)c1cc2ccccc2o1
InChIInChI=1S/C16H15N3O2/c1-11(15-9-12-5-2-3-7-14(12)21-15)18-16(20)19-13-6-4-8-17-10-13/h2-11H,1H3,(H2,18,19,20)
InChIKeyXEPHKQPADDEMNW-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.71
Rot. Bonds3

About 1-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylurea

1-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylurea (PubChem CID 134056773) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylurea
PubChem CID134056773
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name1-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylurea
SMILESCC(NC(=O)Nc1cccnc1)c1cc2ccccc2o1
InChIInChI=1S/C16H15N3O2/c1-11(15-9-12-5-2-3-7-14(12)21-15)18-16(20)19-13-6-4-8-17-10-13/h2-11H,1H3,(H2,18,19,20)
InChIKeyXEPHKQPADDEMNW-UHFFFAOYSA-N
XLogP3.71
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(1-benzofuran-2-yl)ethyl]-3-isoquinolin-5-ylurea
CID 71900533
N-[4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]phenyl]-3-methylbutanamide
CID 47033511
(E)-N-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 134047555
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]pyrazine-2-carboxamide
CID 26007494
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[3-(tert-butylsulfamoyl)phenyl]urea
CID 52539457
4-[1-(1-benzofuran-2-yl)ethylcarbamoylamino]-N-butan-2-ylbenzamide
CID 60569859
2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide
CID 94056544
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea
CID 18129110
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1S)-1-(2-bromophenyl)ethyl]urea
CID 41437716
1-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-[(1S)-1-(2-bromophenyl)ethyl]urea
CID 41437708
1-[(1R)-1-(1-benzofuran-2-yl)ethyl]-3-[(1R)-1-(2-bromophenyl)ethyl]urea
CID 41437717
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylurea (CID 134056773) is 1-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylurea is CC(NC(=O)Nc1cccnc1)c1cc2ccccc2o1.
What is the InChIKey of 1-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylurea?
The InChIKey is XEPHKQPADDEMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11(15-9-12-5-2-3-7-14(12)21-15)18-16(20)19-13-6-4-8-17-10-13/h2-11H,1H3,(H2,18,19,20).
What are the key properties of 1-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylurea?
1-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylurea has a molecular weight of 281.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzofuran-2-yl)ethyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 134056773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).