6-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one

C20H19NO2 — CID 4194648

IUPAC6-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one
SMILESCOc1ccc(-c2cccc(=O)n2Cc2ccc(C)cc2)cc1
InChIInChI=1S/C20H19NO2/c1-15-6-8-16(9-7-15)14-21-19(4-3-5-20(21)22)17-10-12-18(23-2)13-11-17/h3-13H,14H2,1-2H3
InChIKeyPQIGJAGOOARTFL-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.88
Rot. Bonds4

About 6-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one

6-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one (PubChem CID 4194648) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one
PubChem CID4194648
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name6-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one
SMILESCOc1ccc(-c2cccc(=O)n2Cc2ccc(C)cc2)cc1
InChIInChI=1S/C20H19NO2/c1-15-6-8-16(9-7-15)14-21-19(4-3-5-20(21)22)17-10-12-18(23-2)13-11-17/h3-13H,14H2,1-2H3
InChIKeyPQIGJAGOOARTFL-UHFFFAOYSA-N
XLogP3.88
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one?
The IUPAC name of 6-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one (CID 4194648) is 6-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one?
The canonical SMILES for 6-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one is COc1ccc(-c2cccc(=O)n2Cc2ccc(C)cc2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one?
The InChIKey is PQIGJAGOOARTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-15-6-8-16(9-7-15)14-21-19(4-3-5-20(21)22)17-10-12-18(23-2)13-11-17/h3-13H,14H2,1-2H3.
What are the key properties of 6-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one?
6-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one has a molecular weight of 305.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one is sourced from PubChem (CID 4194648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).