1-(5-cyano-2-phenoxyphenyl)-3-pyridin-3-ylurea

C19H14N4O2 — CID 11724165

IUPAC1-(5-cyano-2-phenoxyphenyl)-3-pyridin-3-ylurea
SMILESN#Cc1ccc(Oc2ccccc2)c(NC(=O)Nc2cccnc2)c1
InChIInChI=1S/C19H14N4O2/c20-12-14-8-9-18(25-16-6-2-1-3-7-16)17(11-14)23-19(24)22-15-5-4-10-21-13-15/h1-11,13H,(H2,22,23,24)
InChIKeyCAQZWGRYGGXKQE-UHFFFAOYSA-N
MW330.35 g/mol
LogP4.39
Rot. Bonds4

About 1-(5-cyano-2-phenoxyphenyl)-3-pyridin-3-ylurea

1-(5-cyano-2-phenoxyphenyl)-3-pyridin-3-ylurea (PubChem CID 11724165) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-(5-cyano-2-phenoxyphenyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(5-cyano-2-phenoxyphenyl)-3-pyridin-3-ylurea
PubChem CID11724165
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name1-(5-cyano-2-phenoxyphenyl)-3-pyridin-3-ylurea
SMILESN#Cc1ccc(Oc2ccccc2)c(NC(=O)Nc2cccnc2)c1
InChIInChI=1S/C19H14N4O2/c20-12-14-8-9-18(25-16-6-2-1-3-7-16)17(11-14)23-19(24)22-15-5-4-10-21-13-15/h1-11,13H,(H2,22,23,24)
InChIKeyCAQZWGRYGGXKQE-UHFFFAOYSA-N
XLogP4.39
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-phenoxyphenyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(5-cyano-2-phenoxyphenyl)-3-pyridin-3-ylurea (CID 11724165) is 1-(5-cyano-2-phenoxyphenyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(5-cyano-2-phenoxyphenyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(5-cyano-2-phenoxyphenyl)-3-pyridin-3-ylurea is N#Cc1ccc(Oc2ccccc2)c(NC(=O)Nc2cccnc2)c1.
What is the InChIKey of 1-(5-cyano-2-phenoxyphenyl)-3-pyridin-3-ylurea?
The InChIKey is CAQZWGRYGGXKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c20-12-14-8-9-18(25-16-6-2-1-3-7-16)17(11-14)23-19(24)22-15-5-4-10-21-13-15/h1-11,13H,(H2,22,23,24).
What are the key properties of 1-(5-cyano-2-phenoxyphenyl)-3-pyridin-3-ylurea?
1-(5-cyano-2-phenoxyphenyl)-3-pyridin-3-ylurea has a molecular weight of 330.35 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-phenoxyphenyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 11724165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).