1-(1-benzyl-2-oxo-3-pyridinyl)-3-(3-methoxyphenyl)urea

C20H19N3O3 — CID 1450040

IUPAC1-(1-benzyl-2-oxo-3-pyridinyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cccn(Cc3ccccc3)c2=O)c1
InChIInChI=1S/C20H19N3O3/c1-26-17-10-5-9-16(13-17)21-20(25)22-18-11-6-12-23(19(18)24)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H2,21,22,25)
InChIKeyWNQUJFXCLQHRSO-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.55
Rot. Bonds5

About 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(3-methoxyphenyl)urea

1-(1-benzyl-2-oxo-3-pyridinyl)-3-(3-methoxyphenyl)urea (PubChem CID 1450040) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-benzyl-2-oxo-3-pyridinyl)-3-(3-methoxyphenyl)urea
PubChem CID1450040
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1-(1-benzyl-2-oxo-3-pyridinyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cccn(Cc3ccccc3)c2=O)c1
InChIInChI=1S/C20H19N3O3/c1-26-17-10-5-9-16(13-17)21-20(25)22-18-11-6-12-23(19(18)24)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H2,21,22,25)
InChIKeyWNQUJFXCLQHRSO-UHFFFAOYSA-N
XLogP3.55
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(3-methoxyphenyl)urea 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-(1-benzyl-2-oxo-3-pyridinyl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(3-methoxyphenyl)urea (CID 1450040) is 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2cccn(Cc3ccccc3)c2=O)c1.
What is the InChIKey of 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(3-methoxyphenyl)urea?
The InChIKey is WNQUJFXCLQHRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-26-17-10-5-9-16(13-17)21-20(25)22-18-11-6-12-23(19(18)24)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H2,21,22,25).
What are the key properties of 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(3-methoxyphenyl)urea?
1-(1-benzyl-2-oxo-3-pyridinyl)-3-(3-methoxyphenyl)urea has a molecular weight of 349.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-oxo-3-pyridinyl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 1450040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).