1-(3,4-dimethylphenyl)-3-(pyridin-3-ylmethyl)urea

C15H17N3O — CID 4590879

IUPAC1-(3,4-dimethylphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESCc1ccc(NC(=O)NCc2cccnc2)cc1C
InChIInChI=1S/C15H17N3O/c1-11-5-6-14(8-12(11)2)18-15(19)17-10-13-4-3-7-16-9-13/h3-9H,10H2,1-2H3,(H2,17,18,19)
InChIKeyMHAQDDLKYLYRJV-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.02
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-3-(pyridin-3-ylmethyl)urea

1-(3,4-dimethylphenyl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 4590879) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(pyridin-3-ylmethyl)urea
PubChem CID4590879
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(3,4-dimethylphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESCc1ccc(NC(=O)NCc2cccnc2)cc1C
InChIInChI=1S/C15H17N3O/c1-11-5-6-14(8-12(11)2)18-15(19)17-10-13-4-3-7-16-9-13/h3-9H,10H2,1-2H3,(H2,17,18,19)
InChIKeyMHAQDDLKYLYRJV-UHFFFAOYSA-N
XLogP3.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dimethylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(pyridin-3-ylmethyl)urea (CID 4590879) is 1-(3,4-dimethylphenyl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(pyridin-3-ylmethyl)urea is Cc1ccc(NC(=O)NCc2cccnc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is MHAQDDLKYLYRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-5-6-14(8-12(11)2)18-15(19)17-10-13-4-3-7-16-9-13/h3-9H,10H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(3,4-dimethylphenyl)-3-(pyridin-3-ylmethyl)urea?
1-(3,4-dimethylphenyl)-3-(pyridin-3-ylmethyl)urea has a molecular weight of 255.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 4590879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).