1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea

C16H19N3O2 — CID 108878565

IUPAC1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)NCOc2cccc(C)c2C)nc1
InChIInChI=1S/C16H19N3O2/c1-11-7-8-15(17-9-11)19-16(20)18-10-21-14-6-4-5-12(2)13(14)3/h4-9H,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyRFBVUWIOADIBKK-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.16
Rot. Bonds4

About 1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea

1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea (PubChem CID 108878565) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
PubChem CID108878565
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
SMILESCc1ccc(NC(=O)NCOc2cccc(C)c2C)nc1
InChIInChI=1S/C16H19N3O2/c1-11-7-8-15(17-9-11)19-16(20)18-10-21-14-6-4-5-12(2)13(14)3/h4-9H,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyRFBVUWIOADIBKK-UHFFFAOYSA-N
XLogP3.16
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-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-(2,3-dimethylphenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 35022382
1-[(2,4-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea
CID 108870890
1-[(2,3-dimethylphenoxy)methyl]-3-(2-ethylphenyl)urea
CID 108878458
1-(3,4-dichlorophenyl)-3-[(2,3-dimethylphenoxy)methyl]urea
CID 108878230
1-(5-methyl-2-pyridinyl)-3-[(4-propylphenoxy)methyl]urea
CID 108879684
4-[(2,3-dimethylphenoxy)methylcarbamoylamino]benzenesulfonic acid
CID 108878223
1-[(2,3-dimethylphenoxy)methyl]-3-(5-hydroxynaphthalen-1-yl)urea
CID 108878287
1-[(2,3-dimethylphenoxy)methyl]-3-(4-hydroxy-2-methylphenyl)urea
CID 108878288
1-(2-methoxyethyl)-3-(5-methyl-2-pyridinyl)urea
CID 84600557
1-[[2-(methoxymethyl)phenyl]methyl]-3-(5-methyl-2-pyridinyl)urea
CID 86788660
1-[(2,3-dimethylphenoxy)methyl]-3-(4-sulfamoylphenyl)urea
CID 108878284
1-[(2,3-dimethylphenoxy)methyl]-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 108878533

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea?
The IUPAC name of 1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea (CID 108878565) is 1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea.
What is the SMILES notation for 1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea?
The canonical SMILES for 1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea is Cc1ccc(NC(=O)NCOc2cccc(C)c2C)nc1.
What is the InChIKey of 1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea?
The InChIKey is RFBVUWIOADIBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-7-8-15(17-9-11)19-16(20)18-10-21-14-6-4-5-12(2)13(14)3/h4-9H,10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea?
1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea has a molecular weight of 285.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethylphenoxy)methyl]-3-(5-methyl-2-pyridinyl)urea is sourced from PubChem (CID 108878565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).