1-(4-ethylphenyl)-3-(pyridin-3-ylmethyl)urea

C15H17N3O — CID 24818651

IUPAC1-(4-ethylphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESCCc1ccc(NC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C15H17N3O/c1-2-12-5-7-14(8-6-12)18-15(19)17-11-13-4-3-9-16-10-13/h3-10H,2,11H2,1H3,(H2,17,18,19)
InChIKeyONGLBTYQWVWICK-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.97
Rot. Bonds4

About 1-(4-ethylphenyl)-3-(pyridin-3-ylmethyl)urea

1-(4-ethylphenyl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 24818651) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(pyridin-3-ylmethyl)urea
PubChem CID24818651
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-(4-ethylphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESCCc1ccc(NC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C15H17N3O/c1-2-12-5-7-14(8-6-12)18-15(19)17-11-13-4-3-9-16-10-13/h3-10H,2,11H2,1H3,(H2,17,18,19)
InChIKeyONGLBTYQWVWICK-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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(4-ethylphenyl)-3-(pyridin-3-ylmethyl)urea (CID 24818651) is 1-(4-ethylphenyl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(pyridin-3-ylmethyl)urea is CCc1ccc(NC(=O)NCc2cccnc2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is ONGLBTYQWVWICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-12-5-7-14(8-6-12)18-15(19)17-11-13-4-3-9-16-10-13/h3-10H,2,11H2,1H3,(H2,17,18,19).
What are the key properties of 1-(4-ethylphenyl)-3-(pyridin-3-ylmethyl)urea?
1-(4-ethylphenyl)-3-(pyridin-3-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-(4-ethylphenyl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 24818651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).