1-(3-methoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea

C21H21N3O4 — CID 3231721

IUPAC1-(3-methoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILESCOc1ccc(Cn2cccc(NC(=O)Nc3cccc(OC)c3)c2=O)cc1
InChIInChI=1S/C21H21N3O4/c1-27-17-10-8-15(9-11-17)14-24-12-4-7-19(20(24)25)23-21(26)22-16-5-3-6-18(13-16)28-2/h3-13H,14H2,1-2H3,(H2,22,23,26)
InChIKeyIXALCMDXGSZDGO-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.56
Rot. Bonds6

About 1-(3-methoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea

1-(3-methoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea (PubChem CID 3231721) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea
PubChem CID3231721
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name1-(3-methoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea
SMILESCOc1ccc(Cn2cccc(NC(=O)Nc3cccc(OC)c3)c2=O)cc1
InChIInChI=1S/C21H21N3O4/c1-27-17-10-8-15(9-11-17)14-24-12-4-7-19(20(24)25)23-21(26)22-16-5-3-6-18(13-16)28-2/h3-13H,14H2,1-2H3,(H2,22,23,26)
InChIKeyIXALCMDXGSZDGO-UHFFFAOYSA-N
XLogP3.56
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea (CID 3231721) is 1-(3-methoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea is COc1ccc(Cn2cccc(NC(=O)Nc3cccc(OC)c3)c2=O)cc1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea?
The InChIKey is IXALCMDXGSZDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-27-17-10-8-15(9-11-17)14-24-12-4-7-19(20(24)25)23-21(26)22-16-5-3-6-18(13-16)28-2/h3-13H,14H2,1-2H3,(H2,22,23,26).
What are the key properties of 1-(3-methoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea?
1-(3-methoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea has a molecular weight of 379.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[1-[(4-methoxyphenyl)methyl]-2-oxo-3-pyridinyl]urea is sourced from PubChem (CID 3231721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).