1-(3-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea

C20H16N4O2 — CID 5116189

IUPAC1-(3-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea
SMILESN#Cc1cccc(NC(=O)Nc2ncccc2OCc2ccccc2)c1
InChIInChI=1S/C20H16N4O2/c21-13-16-8-4-9-17(12-16)23-20(25)24-19-18(10-5-11-22-19)26-14-15-6-2-1-3-7-15/h1-12H,14H2,(H2,22,23,24,25)
InChIKeyUGGPYOCOTMIGDI-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.18
Rot. Bonds5

About 1-(3-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea

1-(3-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea (PubChem CID 5116189) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea
PubChem CID5116189
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name1-(3-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea
SMILESN#Cc1cccc(NC(=O)Nc2ncccc2OCc2ccccc2)c1
InChIInChI=1S/C20H16N4O2/c21-13-16-8-4-9-17(12-16)23-20(25)24-19-18(10-5-11-22-19)26-14-15-6-2-1-3-7-15/h1-12H,14H2,(H2,22,23,24,25)
InChIKeyUGGPYOCOTMIGDI-UHFFFAOYSA-N
XLogP4.18
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)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

2-Amino-3-benzyloxypyridine
CID 90334
3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
Pyridoimidazolone, 5e
CID 42626193
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
US10155760, Example 3
CID 118419786
US10155760, Example 21
CID 118420000
methyl N-[4-[6-[(2S)-2-amino-2,4-dimethylpentoxy]-5-cyano-3-pyridinyl]-2-pyridinyl]carbamate
CID 118429757
US10155760, Example 117
CID 118429768
US10155760, Example 120
CID 118429774
US10155760, Example 22
CID 118429872
Aak1-IN-4
CID 118429891
US10155760, Example 146
CID 118429917

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
The IUPAC name of 1-(3-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea (CID 5116189) is 1-(3-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea.
What is the SMILES notation for 1-(3-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
The canonical SMILES for 1-(3-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea is N#Cc1cccc(NC(=O)Nc2ncccc2OCc2ccccc2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
The InChIKey is UGGPYOCOTMIGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c21-13-16-8-4-9-17(12-16)23-20(25)24-19-18(10-5-11-22-19)26-14-15-6-2-1-3-7-15/h1-12H,14H2,(H2,22,23,24,25).
What are the key properties of 1-(3-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea?
1-(3-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea has a molecular weight of 344.37 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3-(3-phenylmethoxy-2-pyridinyl)urea is sourced from PubChem (CID 5116189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).