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

C23H25NO2 — CID 4676400

IUPAC1-[(4-tert-butylphenyl)methyl]-6-(4-methoxyphenyl)pyridin-2-one
SMILESCOc1ccc(-c2cccc(=O)n2Cc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H25NO2/c1-23(2,3)19-12-8-17(9-13-19)16-24-21(6-5-7-22(24)25)18-10-14-20(26-4)15-11-18/h5-15H,16H2,1-4H3
InChIKeyGMKPULMXHXQCJA-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.87
Rot. Bonds4

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

1-[(4-tert-butylphenyl)methyl]-6-(4-methoxyphenyl)pyridin-2-one (PubChem CID 4676400) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-6-(4-methoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-6-(4-methoxyphenyl)pyridin-2-one
PubChem CID4676400
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name1-[(4-tert-butylphenyl)methyl]-6-(4-methoxyphenyl)pyridin-2-one
SMILESCOc1ccc(-c2cccc(=O)n2Cc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C23H25NO2/c1-23(2,3)19-12-8-17(9-13-19)16-24-21(6-5-7-22(24)25)18-10-14-20(26-4)15-11-18/h5-15H,16H2,1-4H3
InChIKeyGMKPULMXHXQCJA-UHFFFAOYSA-N
XLogP4.87
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]pyridin-2-one
CID 4194648
4-[(2-oxo-6-phenyl-1-pyridinyl)methyl]benzoic acid
CID 24730427
5-amino-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 118001654
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
1-[(4-tert-butylphenyl)methyl]-5-(3-methoxyphenyl)indole
CID 22032965
5-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyridin-2-one
CID 69444298
5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1-[(4-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxylic acid
CID 3434581
5-hydrazinyl-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 118001666
6-chloro-1,3-bis[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 57423840
6-(4-methoxyphenyl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 2765304
1-[(4-methoxyphenyl)methyl]-3-[(4-phenylphenyl)methyl]-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-2,4-dione
CID 53346543
2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole
CID 22387400

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-6-(4-methoxyphenyl)pyridin-2-one?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-6-(4-methoxyphenyl)pyridin-2-one (CID 4676400) is 1-[(4-tert-butylphenyl)methyl]-6-(4-methoxyphenyl)pyridin-2-one.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-6-(4-methoxyphenyl)pyridin-2-one?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-6-(4-methoxyphenyl)pyridin-2-one is COc1ccc(-c2cccc(=O)n2Cc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-6-(4-methoxyphenyl)pyridin-2-one?
The InChIKey is GMKPULMXHXQCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-23(2,3)19-12-8-17(9-13-19)16-24-21(6-5-7-22(24)25)18-10-14-20(26-4)15-11-18/h5-15H,16H2,1-4H3.
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-6-(4-methoxyphenyl)pyridin-2-one?
1-[(4-tert-butylphenyl)methyl]-6-(4-methoxyphenyl)pyridin-2-one has a molecular weight of 347.46 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-6-(4-methoxyphenyl)pyridin-2-one is sourced from PubChem (CID 4676400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).