1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)urea

C19H17N3O2 — CID 3663276

IUPAC1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)urea
SMILESO=C(Nc1ccccc1)Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C19H17N3O2/c23-19(21-16-10-5-2-6-11-16)22-18-17(12-7-13-20-18)24-14-15-8-3-1-4-9-15/h1-13H,14H2,(H2,20,21,22,23)
InChIKeyPFMMAQSZJDBKOE-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.30
Rot. Bonds5

About 1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)urea

1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)urea (PubChem CID 3663276) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)urea
PubChem CID3663276
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)urea
SMILESO=C(Nc1ccccc1)Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C19H17N3O2/c23-19(21-16-10-5-2-6-11-16)22-18-17(12-7-13-20-18)24-14-15-8-3-1-4-9-15/h1-13H,14H2,(H2,20,21,22,23)
InChIKeyPFMMAQSZJDBKOE-UHFFFAOYSA-N
XLogP4.30
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)urea?
The IUPAC name of 1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)urea (CID 3663276) is 1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)urea.
What is the SMILES notation for 1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)urea?
The canonical SMILES for 1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)urea is O=C(Nc1ccccc1)Nc1ncccc1OCc1ccccc1.
What is the InChIKey of 1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)urea?
The InChIKey is PFMMAQSZJDBKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-19(21-16-10-5-2-6-11-16)22-18-17(12-7-13-20-18)24-14-15-8-3-1-4-9-15/h1-13H,14H2,(H2,20,21,22,23).
What are the key properties of 1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)urea?
1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)urea has a molecular weight of 319.36 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)urea is sourced from PubChem (CID 3663276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).