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

C14H15N3O — CID 853674

IUPAC1-(2-methylphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESCc1ccccc1NC(=O)NCc1cccnc1
InChIInChI=1S/C14H15N3O/c1-11-5-2-3-7-13(11)17-14(18)16-10-12-6-4-8-15-9-12/h2-9H,10H2,1H3,(H2,16,17,18)
InChIKeyXJXBEHAMLROIMQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.71
Rot. Bonds3

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

1-(2-methylphenyl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 853674) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-(pyridin-3-ylmethyl)urea
PubChem CID853674
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-(2-methylphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESCc1ccccc1NC(=O)NCc1cccnc1
InChIInChI=1S/C14H15N3O/c1-11-5-2-3-7-13(11)17-14(18)16-10-12-6-4-8-15-9-12/h2-9H,10H2,1H3,(H2,16,17,18)
InChIKeyXJXBEHAMLROIMQ-UHFFFAOYSA-N
XLogP2.71
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(2-methylphenyl)-3-(pyridin-3-ylmethyl)urea (CID 853674) is 1-(2-methylphenyl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(2-methylphenyl)-3-(pyridin-3-ylmethyl)urea is Cc1ccccc1NC(=O)NCc1cccnc1.
What is the InChIKey of 1-(2-methylphenyl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is XJXBEHAMLROIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-11-5-2-3-7-13(11)17-14(18)16-10-12-6-4-8-15-9-12/h2-9H,10H2,1H3,(H2,16,17,18).
What are the key properties of 1-(2-methylphenyl)-3-(pyridin-3-ylmethyl)urea?
1-(2-methylphenyl)-3-(pyridin-3-ylmethyl)urea has a molecular weight of 241.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 853674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).