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

C13H13N3O — CID 853198

IUPAC1-phenyl-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccccn1)Nc1ccccc1
InChIInChI=1S/C13H13N3O/c17-13(16-11-6-2-1-3-7-11)15-10-12-8-4-5-9-14-12/h1-9H,10H2,(H2,15,16,17)
InChIKeyVPUGNBWVJHYAQX-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.40
Rot. Bonds3

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

1-phenyl-3-(pyridin-2-ylmethyl)urea (PubChem CID 853198) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 1-phenyl-3-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-phenyl-3-(pyridin-2-ylmethyl)urea
PubChem CID853198
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name1-phenyl-3-(pyridin-2-ylmethyl)urea
SMILESO=C(NCc1ccccn1)Nc1ccccc1
InChIInChI=1S/C13H13N3O/c17-13(16-11-6-2-1-3-7-11)15-10-12-8-4-5-9-14-12/h1-9H,10H2,(H2,15,16,17)
InChIKeyVPUGNBWVJHYAQX-UHFFFAOYSA-N
XLogP2.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(pyridin-2-ylmethyl)urea?
The IUPAC name of 1-phenyl-3-(pyridin-2-ylmethyl)urea (CID 853198) is 1-phenyl-3-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-phenyl-3-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-phenyl-3-(pyridin-2-ylmethyl)urea is O=C(NCc1ccccn1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-(pyridin-2-ylmethyl)urea?
The InChIKey is VPUGNBWVJHYAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c17-13(16-11-6-2-1-3-7-11)15-10-12-8-4-5-9-14-12/h1-9H,10H2,(H2,15,16,17).
What are the key properties of 1-phenyl-3-(pyridin-2-ylmethyl)urea?
1-phenyl-3-(pyridin-2-ylmethyl)urea has a molecular weight of 227.27 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 853198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).