1-(2-ethylphenyl)-3-(pyridin-2-ylmethyl)urea

C15H17N3O — CID 6470944

IUPAC1-(2-ethylphenyl)-3-(pyridin-2-ylmethyl)urea
SMILESCCc1ccccc1NC(=O)NCc1ccccn1
InChIInChI=1S/C15H17N3O/c1-2-12-7-3-4-9-14(12)18-15(19)17-11-13-8-5-6-10-16-13/h3-10H,2,11H2,1H3,(H2,17,18,19)
InChIKeyCNYRPKJUDOZKGX-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.97
Rot. Bonds4

About 1-(2-ethylphenyl)-3-(pyridin-2-ylmethyl)urea

1-(2-ethylphenyl)-3-(pyridin-2-ylmethyl)urea (PubChem CID 6470944) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-(pyridin-2-ylmethyl)urea
PubChem CID6470944
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(2-ethylphenyl)-3-(pyridin-2-ylmethyl)urea
SMILESCCc1ccccc1NC(=O)NCc1ccccn1
InChIInChI=1S/C15H17N3O/c1-2-12-7-3-4-9-14(12)18-15(19)17-11-13-8-5-6-10-16-13/h3-10H,2,11H2,1H3,(H2,17,18,19)
InChIKeyCNYRPKJUDOZKGX-UHFFFAOYSA-N
XLogP2.97
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-ethylphenyl)-3-(pyridin-2-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-(2-ethylphenyl)-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-(2-ethylphenyl)-3-(pyridin-2-ylmethyl)urea (CID 6470944) is 1-(2-ethylphenyl)-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-(pyridin-2-ylmethyl)urea is CCc1ccccc1NC(=O)NCc1ccccn1.
What is the InChIKey of 1-(2-ethylphenyl)-3-(pyridin-2-ylmethyl)urea?
The InChIKey is CNYRPKJUDOZKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-12-7-3-4-9-14(12)18-15(19)17-11-13-8-5-6-10-16-13/h3-10H,2,11H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2-ethylphenyl)-3-(pyridin-2-ylmethyl)urea?
1-(2-ethylphenyl)-3-(pyridin-2-ylmethyl)urea has a molecular weight of 255.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 6470944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).