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

C14H15N3O2 — CID 3802701

IUPAC1-(4-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESCOc1ccc(NC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C14H15N3O2/c1-19-13-6-4-12(5-7-13)17-14(18)16-10-11-3-2-8-15-9-11/h2-9H,10H2,1H3,(H2,16,17,18)
InChIKeyOZJLYGNPVLMLEC-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.41
Rot. Bonds4

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

1-(4-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea (PubChem CID 3802701) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
PubChem CID3802701
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-(4-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
SMILESCOc1ccc(NC(=O)NCc2cccnc2)cc1
InChIInChI=1S/C14H15N3O2/c1-19-13-6-4-12(5-7-13)17-14(18)16-10-11-3-2-8-15-9-11/h2-9H,10H2,1H3,(H2,16,17,18)
InChIKeyOZJLYGNPVLMLEC-UHFFFAOYSA-N
XLogP2.41
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea (CID 3802701) is 1-(4-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea is COc1ccc(NC(=O)NCc2cccnc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea?
The InChIKey is OZJLYGNPVLMLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-13-6-4-12(5-7-13)17-14(18)16-10-11-3-2-8-15-9-11/h2-9H,10H2,1H3,(H2,16,17,18).
What are the key properties of 1-(4-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea?
1-(4-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea has a molecular weight of 257.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(pyridin-3-ylmethyl)urea is sourced from PubChem (CID 3802701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).