1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea

C21H21N3O3 — CID 1450141

IUPAC1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILESCOc1cccc(Cn2cccc(NC(=O)NCc3ccccc3)c2=O)c1
InChIInChI=1S/C21H21N3O3/c1-27-18-10-5-9-17(13-18)15-24-12-6-11-19(20(24)25)23-21(26)22-14-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H2,22,23,26)
InChIKeyMHOYQYHXYSYQKE-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.23
Rot. Bonds6

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

1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea (PubChem CID 1450141) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea
PubChem CID1450141
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILESCOc1cccc(Cn2cccc(NC(=O)NCc3ccccc3)c2=O)c1
InChIInChI=1S/C21H21N3O3/c1-27-18-10-5-9-17(13-18)15-24-12-6-11-19(20(24)25)23-21(26)22-14-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H2,22,23,26)
InChIKeyMHOYQYHXYSYQKE-UHFFFAOYSA-N
XLogP3.23
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]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-benzyl-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea?
The IUPAC name of 1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea (CID 1450141) is 1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea.
What is the SMILES notation for 1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea?
The canonical SMILES for 1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea is COc1cccc(Cn2cccc(NC(=O)NCc3ccccc3)c2=O)c1.
What is the InChIKey of 1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea?
The InChIKey is MHOYQYHXYSYQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-27-18-10-5-9-17(13-18)15-24-12-6-11-19(20(24)25)23-21(26)22-14-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H2,22,23,26).
What are the key properties of 1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea?
1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea has a molecular weight of 363.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea is sourced from PubChem (CID 1450141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).