1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea

C17H14N4O2 — CID 110874471

IUPAC1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cc(-c2ccncc2)c[nH]c1=O
InChIInChI=1S/C17H14N4O2/c22-16-15(21-17(23)20-14-4-2-1-3-5-14)10-13(11-19-16)12-6-8-18-9-7-12/h1-11H,(H,19,22)(H2,20,21,23)
InChIKeyKXYXUKYOCMEUTD-UHFFFAOYSA-N
MW306.33 g/mol
LogP3.08
Rot. Bonds3

About 1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea

1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea (PubChem CID 110874471) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea
PubChem CID110874471
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cc(-c2ccncc2)c[nH]c1=O
InChIInChI=1S/C17H14N4O2/c22-16-15(21-17(23)20-14-4-2-1-3-5-14)10-13(11-19-16)12-6-8-18-9-7-12/h1-11H,(H,19,22)(H2,20,21,23)
InChIKeyKXYXUKYOCMEUTD-UHFFFAOYSA-N
XLogP3.08
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea?
The IUPAC name of 1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea (CID 110874471) is 1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea.
What is the SMILES notation for 1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea?
The canonical SMILES for 1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea is O=C(Nc1ccccc1)Nc1cc(-c2ccncc2)c[nH]c1=O.
What is the InChIKey of 1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea?
The InChIKey is KXYXUKYOCMEUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-16-15(21-17(23)20-14-4-2-1-3-5-14)10-13(11-19-16)12-6-8-18-9-7-12/h1-11H,(H,19,22)(H2,20,21,23).
What are the key properties of 1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea?
1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea has a molecular weight of 306.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylurea is sourced from PubChem (CID 110874471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).