1-(pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea

C14H12F3N3O — CID 971723

IUPAC1-(pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCc1ccccn1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)11-6-1-2-7-12(11)20-13(21)19-9-10-5-3-4-8-18-10/h1-8H,9H2,(H2,19,20,21)
InChIKeyKREIUPUCDXOLPI-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.42
Rot. Bonds3

About 1-(pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea

1-(pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 971723) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID971723
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC Name1-(pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(NCc1ccccn1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H12F3N3O/c15-14(16,17)11-6-1-2-7-12(11)20-13(21)19-9-10-5-3-4-8-18-10/h1-8H,9H2,(H2,19,20,21)
InChIKeyKREIUPUCDXOLPI-UHFFFAOYSA-N
XLogP3.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]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

Omecamtiv Mecarbil
CID 11689883
A-425619
CID 8068410
3-Phenyl-1-(pyridin-3-yl)urea
CID 674807
1-(3-Fluorophenyl)-3-(3-pyridyl)urea
CID 853873
2(1H)-Quinazolinone, 5,6-difluoro-3,4-dihydro-4-(2-pyridinylethynyl)-4-(trifluoromethyl)-
CID 477001
6-Fluoro-4-[2-(2-pyridyl)ethynyl]-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
CID 478286
1-Methyl-3-quinolin-8-ylurea
CID 250561
1-Cyclohexyl-3-(pyridin-4-ylmethyl)urea
CID 888059
1-Cyclohexyl-3-(3-pyridylmethyl)urea
CID 650313
1-Phenyl-3-(pyridin-2-ylmethyl)urea
CID 853198
1-Phenyl-3-(3-pyridylmethyl)urea
CID 853670
N-(pyridin-3-yl)indoline-1-carboxamide
CID 10823903

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea (CID 971723) is 1-(pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea is O=C(NCc1ccccn1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is KREIUPUCDXOLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c15-14(16,17)11-6-1-2-7-12(11)20-13(21)19-9-10-5-3-4-8-18-10/h1-8H,9H2,(H2,19,20,21).
What are the key properties of 1-(pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea?
1-(pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 295.26 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 971723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).