1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea

C22H23N3O3 — CID 6488656

IUPAC1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea
SMILESCOc1cccc(Cn2cc(C)cc(NC(=O)NCc3ccccc3)c2=O)c1
InChIInChI=1S/C22H23N3O3/c1-16-11-20(24-22(27)23-13-17-7-4-3-5-8-17)21(26)25(14-16)15-18-9-6-10-19(12-18)28-2/h3-12,14H,13,15H2,1-2H3,(H2,23,24,27)
InChIKeyPSUIYIAXQBDSQK-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.54
Rot. Bonds6

About 1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea

1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea (PubChem CID 6488656) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea
PubChem CID6488656
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea
SMILESCOc1cccc(Cn2cc(C)cc(NC(=O)NCc3ccccc3)c2=O)c1
InChIInChI=1S/C22H23N3O3/c1-16-11-20(24-22(27)23-13-17-7-4-3-5-8-17)21(26)25(14-16)15-18-9-6-10-19(12-18)28-2/h3-12,14H,13,15H2,1-2H3,(H2,23,24,27)
InChIKeyPSUIYIAXQBDSQK-UHFFFAOYSA-N
XLogP3.54
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea?
The IUPAC name of 1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea (CID 6488656) is 1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea.
What is the SMILES notation for 1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea?
The canonical SMILES for 1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea is COc1cccc(Cn2cc(C)cc(NC(=O)NCc3ccccc3)c2=O)c1.
What is the InChIKey of 1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea?
The InChIKey is PSUIYIAXQBDSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-16-11-20(24-22(27)23-13-17-7-4-3-5-8-17)21(26)25(14-16)15-18-9-6-10-19(12-18)28-2/h3-12,14H,13,15H2,1-2H3,(H2,23,24,27).
What are the key properties of 1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea?
1-benzyl-3-[1-[(3-methoxyphenyl)methyl]-5-methyl-2-oxo-3-pyridinyl]urea has a molecular weight of 377.44 g/mol, XLogP of 3.54, 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]-5-methyl-2-oxo-3-pyridinyl]urea is sourced from PubChem (CID 6488656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).