1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea

C15H17N3O2 — CID 108887059

IUPAC1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea
SMILESCc1cccc(NC(=O)NCCOc2ccccc2)n1
InChIInChI=1S/C15H17N3O2/c1-12-6-5-9-14(17-12)18-15(19)16-10-11-20-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H2,16,17,18,19)
InChIKeyPIRRDTUWOOYQIK-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.59
Rot. Bonds5

About 1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea

1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea (PubChem CID 108887059) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea
PubChem CID108887059
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea
SMILESCc1cccc(NC(=O)NCCOc2ccccc2)n1
InChIInChI=1S/C15H17N3O2/c1-12-6-5-9-14(17-12)18-15(19)16-10-11-20-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H2,16,17,18,19)
InChIKeyPIRRDTUWOOYQIK-UHFFFAOYSA-N
XLogP2.59
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)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-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea
CID 108883164
1-[3-(4-tert-butylphenoxy)propyl]-3-(6-methyl-2-pyridinyl)urea
CID 108882838
1-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)urea
CID 108888073
1-[(3,4-dimethylphenoxy)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 108879152
1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea
CID 108894432
1-(4-bromo-2-pyridinyl)-3-(2-phenoxyethyl)urea
CID 108887175
1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea
CID 86987075
1-[2-(4-bromophenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 108902373
1-[2-(3-methylphenyl)ethyl]-3-(6-methyl-2-pyridinyl)urea
CID 108900770
1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea
CID 934768
1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea
CID 108883302
2-(4-methoxyphenoxy)-N-(6-methyl-2-pyridinyl)acetamide
CID 3146339

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea?
The IUPAC name of 1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea (CID 108887059) is 1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea.
What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea?
The canonical SMILES for 1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea is Cc1cccc(NC(=O)NCCOc2ccccc2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea?
The InChIKey is PIRRDTUWOOYQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-12-6-5-9-14(17-12)18-15(19)16-10-11-20-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H2,16,17,18,19).
What are the key properties of 1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea?
1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea has a molecular weight of 271.32 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea is sourced from PubChem (CID 108887059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).