1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea

C14H15N3O — CID 47385463

IUPAC1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea
SMILESCc1cc(C)cc(NC(=O)Nc2ccncc2)c1
InChIInChI=1S/C14H15N3O/c1-10-7-11(2)9-13(8-10)17-14(18)16-12-3-5-15-6-4-12/h3-9H,1-2H3,(H2,15,16,17,18)
InChIKeyDNNJQTWNYGLFLN-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.34
Rot. Bonds2

About 1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea

1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea (PubChem CID 47385463) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea
PubChem CID47385463
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea
SMILESCc1cc(C)cc(NC(=O)Nc2ccncc2)c1
InChIInChI=1S/C14H15N3O/c1-10-7-11(2)9-13(8-10)17-14(18)16-12-3-5-15-6-4-12/h3-9H,1-2H3,(H2,15,16,17,18)
InChIKeyDNNJQTWNYGLFLN-UHFFFAOYSA-N
XLogP3.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea 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-bromophenyl)-3-pyridin-4-ylurea
CID 677050
1-(4-tert-butylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108884862
1-(3,5-dimethylphenyl)-3-(3-methyl-2-pyridinyl)urea
CID 6464451
1-(3,5-dimethylphenyl)-3-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121065114
1-amino-3-pyridin-4-ylurea
CID 15289585
1-(3-methylphenyl)-3-(4-methylphenyl)urea
CID 12560219
ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate
CID 46859841
1-(5-methyl-3-pyridinyl)-3-phenylurea
CID 110748489
1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108991373
1-tert-butyl-3-(3,5-dimethylphenyl)urea
CID 6469320
N'-(3,5-dimethylphenyl)-N-phenyloxamide
CID 44996455
1-(3,5-dimethylphenyl)-3-propan-2-ylurea
CID 4054179

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea (CID 47385463) is 1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea is Cc1cc(C)cc(NC(=O)Nc2ccncc2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea?
The InChIKey is DNNJQTWNYGLFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-7-11(2)9-13(8-10)17-14(18)16-12-3-5-15-6-4-12/h3-9H,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea?
1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea has a molecular weight of 241.29 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-pyridin-4-ylurea is sourced from PubChem (CID 47385463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).