1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea

C13H10F3N3O — CID 47193920

IUPAC1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H10F3N3O/c14-9-3-4-10(12(16)11(9)15)19-13(20)18-7-8-2-1-5-17-6-8/h1-6H,7H2,(H2,18,19,20)
InChIKeyMITUYRQYKYQKAQ-UHFFFAOYSA-N
MW281.24 g/mol
LogP2.82
Rot. Bonds3

About 1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea

1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea (PubChem CID 47193920) has the molecular formula C13H10F3N3O and a molecular weight of 281.24 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea
PubChem CID47193920
Molecular FormulaC13H10F3N3O
Molecular Weight281.24 g/mol
Exact Mass281.08
IUPAC Name1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H10F3N3O/c14-9-3-4-10(12(16)11(9)15)19-13(20)18-7-8-2-1-5-17-6-8/h1-6H,7H2,(H2,18,19,20)
InChIKeyMITUYRQYKYQKAQ-UHFFFAOYSA-N
XLogP2.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea 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-(4-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125736
1-(3-chloro-2-fluorophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47032706
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 4050389
1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 108892644
1-(2-aminophenyl)-3-(pyridin-3-ylmethyl)urea
CID 67416886
1-(2-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 4118863
2-[2-(pyridin-3-ylmethylcarbamoylamino)phenyl]acetic acid
CID 62534222
6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109121081
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
1-(1H-indol-3-yl)-3-(pyridin-3-ylmethyl)urea
CID 18582261
1-(pyridin-3-ylmethyl)-3-(trifluoromethyl)urea
CID 108865842

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea?
The IUPAC name of 1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea (CID 47193920) is 1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea?
The canonical SMILES for 1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea is O=C(NCc1cccnc1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea?
The InChIKey is MITUYRQYKYQKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O/c14-9-3-4-10(12(16)11(9)15)19-13(20)18-7-8-2-1-5-17-6-8/h1-6H,7H2,(H2,18,19,20).
What are the key properties of 1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea?
1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea has a molecular weight of 281.24 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)-3-(2,3,4-trifluorophenyl)urea is sourced from PubChem (CID 47193920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).