1-phenyl-3-(6-pyridin-3-yloxy-3-pyridinyl)urea

C17H14N4O2 — CID 2800175

IUPAC1-phenyl-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
SMILESO=C(Nc1ccccc1)Nc1ccc(Oc2cccnc2)nc1
InChIInChI=1S/C17H14N4O2/c22-17(20-13-5-2-1-3-6-13)21-14-8-9-16(19-11-14)23-15-7-4-10-18-12-15/h1-12H,(H2,20,21,22)
InChIKeyUFEOROKVNHISKV-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.91
Rot. Bonds4

About 1-phenyl-3-(6-pyridin-3-yloxy-3-pyridinyl)urea

1-phenyl-3-(6-pyridin-3-yloxy-3-pyridinyl)urea (PubChem CID 2800175) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-phenyl-3-(6-pyridin-3-yloxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-phenyl-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
PubChem CID2800175
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name1-phenyl-3-(6-pyridin-3-yloxy-3-pyridinyl)urea
SMILESO=C(Nc1ccccc1)Nc1ccc(Oc2cccnc2)nc1
InChIInChI=1S/C17H14N4O2/c22-17(20-13-5-2-1-3-6-13)21-14-8-9-16(19-11-14)23-15-7-4-10-18-12-15/h1-12H,(H2,20,21,22)
InChIKeyUFEOROKVNHISKV-UHFFFAOYSA-N
XLogP3.91
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(6-pyridin-3-yloxy-3-pyridinyl)urea?
The IUPAC name of 1-phenyl-3-(6-pyridin-3-yloxy-3-pyridinyl)urea (CID 2800175) is 1-phenyl-3-(6-pyridin-3-yloxy-3-pyridinyl)urea.
What is the SMILES notation for 1-phenyl-3-(6-pyridin-3-yloxy-3-pyridinyl)urea?
The canonical SMILES for 1-phenyl-3-(6-pyridin-3-yloxy-3-pyridinyl)urea is O=C(Nc1ccccc1)Nc1ccc(Oc2cccnc2)nc1.
What is the InChIKey of 1-phenyl-3-(6-pyridin-3-yloxy-3-pyridinyl)urea?
The InChIKey is UFEOROKVNHISKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-17(20-13-5-2-1-3-6-13)21-14-8-9-16(19-11-14)23-15-7-4-10-18-12-15/h1-12H,(H2,20,21,22).
What are the key properties of 1-phenyl-3-(6-pyridin-3-yloxy-3-pyridinyl)urea?
1-phenyl-3-(6-pyridin-3-yloxy-3-pyridinyl)urea has a molecular weight of 306.33 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(6-pyridin-3-yloxy-3-pyridinyl)urea is sourced from PubChem (CID 2800175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).