1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea

C20H19N3O2 — CID 110706294

IUPAC1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H19N3O2/c24-20(22-14-17-7-4-12-21-13-17)23-18-8-10-19(11-9-18)25-15-16-5-2-1-3-6-16/h1-13H,14-15H2,(H2,22,23,24)
InChIKeyOOMWVYBGQHOOAH-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.98
Rot. Bonds6

About 1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea

1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 110706294) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
PubChem CID110706294
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESO=C(NCc1cccnc1)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H19N3O2/c24-20(22-14-17-7-4-12-21-13-17)23-18-8-10-19(11-9-18)25-15-16-5-2-1-3-6-16/h1-13H,14-15H2,(H2,22,23,24)
InChIKeyOOMWVYBGQHOOAH-UHFFFAOYSA-N
XLogP3.98
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)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-methylphenyl)methyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]urea
CID 156825214
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
1-(4-decoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 5217676
1-(4-iodophenyl)-3-(pyridin-3-ylmethyl)urea
CID 47125675
1-(2-phenoxyethyl)-3-(4-phenylmethoxyphenyl)urea
CID 112969756
1-[(4-chlorophenyl)methyl]-3-[4-(pyridin-3-yloxymethyl)phenyl]urea;pyridin-3-ol
CID 170159287
N-(4-phenylmethoxyphenyl)-N'-pyridin-3-ylpentanediamide
CID 51362775
N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
CID 112988913
1-(4-phenylmethoxyphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 3514022
1-(4-acetylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 17280574
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
1-[(4-methoxyphenyl)methyl]-3-[4-(pyridin-3-ylmethyl)phenyl]urea
CID 156824740

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea (CID 110706294) is 1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea is O=C(NCc1cccnc1)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is OOMWVYBGQHOOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(22-14-17-7-4-12-21-13-17)23-18-8-10-19(11-9-18)25-15-16-5-2-1-3-6-16/h1-13H,14-15H2,(H2,22,23,24).
What are the key properties of 1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea?
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea has a molecular weight of 333.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 110706294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).