1-[(5-bromofuran-2-yl)methyl]-3-phenyl-1-pyridin-2-ylurea

C17H14BrN3O2 — CID 35572564

IUPAC1-[(5-bromofuran-2-yl)methyl]-3-phenyl-1-pyridin-2-ylurea
SMILESO=C(Nc1ccccc1)N(Cc1ccc(Br)o1)c1ccccn1
InChIInChI=1S/C17H14BrN3O2/c18-15-10-9-14(23-15)12-21(16-8-4-5-11-19-16)17(22)20-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,22)
InChIKeySPIVBOMEZWXBBN-UHFFFAOYSA-N
MW372.22 g/mol
LogP4.68
Rot. Bonds4

About 1-[(5-bromofuran-2-yl)methyl]-3-phenyl-1-pyridin-2-ylurea

1-[(5-bromofuran-2-yl)methyl]-3-phenyl-1-pyridin-2-ylurea (PubChem CID 35572564) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methyl]-3-phenyl-1-pyridin-2-ylurea.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methyl]-3-phenyl-1-pyridin-2-ylurea
PubChem CID35572564
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name1-[(5-bromofuran-2-yl)methyl]-3-phenyl-1-pyridin-2-ylurea
SMILESO=C(Nc1ccccc1)N(Cc1ccc(Br)o1)c1ccccn1
InChIInChI=1S/C17H14BrN3O2/c18-15-10-9-14(23-15)12-21(16-8-4-5-11-19-16)17(22)20-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,22)
InChIKeySPIVBOMEZWXBBN-UHFFFAOYSA-N
XLogP4.68
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-bromofuran-2-yl)methyl]-3-phenyl-1-pyridin-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(naphthalen-1-ylmethyl)-3-phenyl-1-pyridin-2-ylurea
CID 17012534
2-bromo-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide
CID 17012064
methyl N-[3-[[(5-bromofuran-2-yl)methyl-methylcarbamoyl]amino]phenyl]carbamate
CID 87010073
1-ethyl-3-iodo-1-pyridin-2-ylurea
CID 146641175
1-[[4-[[methyl(pyridin-2-yl)amino]methyl]phenyl]methyl]-3-phenylurea
CID 69171147
1-[(5-bromofuran-2-yl)methyl]-1-methyl-3-(4-propan-2-yloxyphenyl)urea
CID 86995112
2-ethoxy-N-[(5-methylfuran-2-yl)methyl]-N-pyridin-2-ylbenzamide
CID 17014006
1-ethyl-3-(2-oxoethylcarbamoyl)-3-phenyl-1-pyridin-2-ylurea
CID 54474930
2-[benzenesulfonyl(pyridin-2-yl)amino]-N-phenylacetamide
CID 1475365
ethyl 4-[4-[[pyridin-2-yl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenyl]benzoate
CID 139943736
N-pyridin-2-yl-N-(pyridin-3-ylcarbamoyl)formamide
CID 173292488
1-cyclohepta[b]pyrrol-2-yl-1-ethyl-3-phenylurea
CID 10613536

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-3-phenyl-1-pyridin-2-ylurea?
The IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-3-phenyl-1-pyridin-2-ylurea (CID 35572564) is 1-[(5-bromofuran-2-yl)methyl]-3-phenyl-1-pyridin-2-ylurea.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methyl]-3-phenyl-1-pyridin-2-ylurea?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methyl]-3-phenyl-1-pyridin-2-ylurea is O=C(Nc1ccccc1)N(Cc1ccc(Br)o1)c1ccccn1.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methyl]-3-phenyl-1-pyridin-2-ylurea?
The InChIKey is SPIVBOMEZWXBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c18-15-10-9-14(23-15)12-21(16-8-4-5-11-19-16)17(22)20-13-6-2-1-3-7-13/h1-11H,12H2,(H,20,22).
What are the key properties of 1-[(5-bromofuran-2-yl)methyl]-3-phenyl-1-pyridin-2-ylurea?
1-[(5-bromofuran-2-yl)methyl]-3-phenyl-1-pyridin-2-ylurea has a molecular weight of 372.22 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-yl)methyl]-3-phenyl-1-pyridin-2-ylurea is sourced from PubChem (CID 35572564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).