5-(4-methoxyphenyl)-1-methyl-3-phenylmethoxy-6-pyridin-4-ylpyridin-2-one

C25H22N2O3 — CID 11036747

IUPAC5-(4-methoxyphenyl)-1-methyl-3-phenylmethoxy-6-pyridin-4-ylpyridin-2-one
SMILESCOc1ccc(-c2cc(OCc3ccccc3)c(=O)n(C)c2-c2ccncc2)cc1
InChIInChI=1S/C25H22N2O3/c1-27-24(20-12-14-26-15-13-20)22(19-8-10-21(29-2)11-9-19)16-23(25(27)28)30-17-18-6-4-3-5-7-18/h3-16H,17H2,1-2H3
InChIKeyXJMAYTXFDJPGRJ-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.70
Rot. Bonds6

About 5-(4-methoxyphenyl)-1-methyl-3-phenylmethoxy-6-pyridin-4-ylpyridin-2-one

5-(4-methoxyphenyl)-1-methyl-3-phenylmethoxy-6-pyridin-4-ylpyridin-2-one (PubChem CID 11036747) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-methyl-3-phenylmethoxy-6-pyridin-4-ylpyridin-2-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-methyl-3-phenylmethoxy-6-pyridin-4-ylpyridin-2-one
PubChem CID11036747
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name5-(4-methoxyphenyl)-1-methyl-3-phenylmethoxy-6-pyridin-4-ylpyridin-2-one
SMILESCOc1ccc(-c2cc(OCc3ccccc3)c(=O)n(C)c2-c2ccncc2)cc1
InChIInChI=1S/C25H22N2O3/c1-27-24(20-12-14-26-15-13-20)22(19-8-10-21(29-2)11-9-19)16-23(25(27)28)30-17-18-6-4-3-5-7-18/h3-16H,17H2,1-2H3
InChIKeyXJMAYTXFDJPGRJ-UHFFFAOYSA-N
XLogP4.70
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-methyl-3-phenylmethoxy-6-pyridin-4-ylpyridin-2-one?
The IUPAC name of 5-(4-methoxyphenyl)-1-methyl-3-phenylmethoxy-6-pyridin-4-ylpyridin-2-one (CID 11036747) is 5-(4-methoxyphenyl)-1-methyl-3-phenylmethoxy-6-pyridin-4-ylpyridin-2-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-methyl-3-phenylmethoxy-6-pyridin-4-ylpyridin-2-one?
The canonical SMILES for 5-(4-methoxyphenyl)-1-methyl-3-phenylmethoxy-6-pyridin-4-ylpyridin-2-one is COc1ccc(-c2cc(OCc3ccccc3)c(=O)n(C)c2-c2ccncc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-methyl-3-phenylmethoxy-6-pyridin-4-ylpyridin-2-one?
The InChIKey is XJMAYTXFDJPGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c1-27-24(20-12-14-26-15-13-20)22(19-8-10-21(29-2)11-9-19)16-23(25(27)28)30-17-18-6-4-3-5-7-18/h3-16H,17H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-1-methyl-3-phenylmethoxy-6-pyridin-4-ylpyridin-2-one?
5-(4-methoxyphenyl)-1-methyl-3-phenylmethoxy-6-pyridin-4-ylpyridin-2-one has a molecular weight of 398.46 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-methyl-3-phenylmethoxy-6-pyridin-4-ylpyridin-2-one is sourced from PubChem (CID 11036747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).