5-[(4-acetylanilino)methyl]-1-(4-methoxyphenyl)pyridin-2-one

C21H20N2O3 — CID 56848111

IUPAC5-[(4-acetylanilino)methyl]-1-(4-methoxyphenyl)pyridin-2-one
SMILESCOc1ccc(-n2cc(CNc3ccc(C(C)=O)cc3)ccc2=O)cc1
InChIInChI=1S/C21H20N2O3/c1-15(24)17-4-6-18(7-5-17)22-13-16-3-12-21(25)23(14-16)19-8-10-20(26-2)11-9-19/h3-12,14,22H,13H2,1-2H3
InChIKeyWWDVSTNOHHOZJQ-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.66
Rot. Bonds6

About 5-[(4-acetylanilino)methyl]-1-(4-methoxyphenyl)pyridin-2-one

5-[(4-acetylanilino)methyl]-1-(4-methoxyphenyl)pyridin-2-one (PubChem CID 56848111) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 5-[(4-acetylanilino)methyl]-1-(4-methoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name5-[(4-acetylanilino)methyl]-1-(4-methoxyphenyl)pyridin-2-one
PubChem CID56848111
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name5-[(4-acetylanilino)methyl]-1-(4-methoxyphenyl)pyridin-2-one
SMILESCOc1ccc(-n2cc(CNc3ccc(C(C)=O)cc3)ccc2=O)cc1
InChIInChI=1S/C21H20N2O3/c1-15(24)17-4-6-18(7-5-17)22-13-16-3-12-21(25)23(14-16)19-8-10-20(26-2)11-9-19/h3-12,14,22H,13H2,1-2H3
InChIKeyWWDVSTNOHHOZJQ-UHFFFAOYSA-N
XLogP3.66
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluorophenyl)-5-[(4-methoxyanilino)methyl]pyridin-2-one
CID 56848016
methyl 4-[(4-methoxyanilino)methyl]benzoate;hydrochloride
CID 141308228
methyl 2-[[1-(4-methoxyphenyl)-6-oxopyridine-3-carbonyl]amino]acetate
CID 91945548
1-[4-[(3,4-dimethoxyphenyl)methylamino]phenyl]ethanone
CID 115576828
N-ethyl-4-[(4-methoxyphenyl)methylamino]benzamide
CID 43728493
1-(4-methoxyphenyl)-6-oxo-N-pentan-2-ylpyridine-3-carboxamide
CID 91955057
N-(2-hydroxypropyl)-1-(4-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 91955026
N-methoxy-1-(4-methoxyphenyl)-N-methyl-6-oxopyridine-3-carboxamide
CID 91955056
1-(4-methoxyphenyl)-6-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
CID 91954993
N-(4-acetylphenyl)-2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanylacetamide
CID 46383829
N-(4-acetylphenyl)-N'-[(4-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108963093
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylanilino)methyl]-1-(4-methoxyphenyl)pyridin-2-one?
The IUPAC name of 5-[(4-acetylanilino)methyl]-1-(4-methoxyphenyl)pyridin-2-one (CID 56848111) is 5-[(4-acetylanilino)methyl]-1-(4-methoxyphenyl)pyridin-2-one.
What is the SMILES notation for 5-[(4-acetylanilino)methyl]-1-(4-methoxyphenyl)pyridin-2-one?
The canonical SMILES for 5-[(4-acetylanilino)methyl]-1-(4-methoxyphenyl)pyridin-2-one is COc1ccc(-n2cc(CNc3ccc(C(C)=O)cc3)ccc2=O)cc1.
What is the InChIKey of 5-[(4-acetylanilino)methyl]-1-(4-methoxyphenyl)pyridin-2-one?
The InChIKey is WWDVSTNOHHOZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-15(24)17-4-6-18(7-5-17)22-13-16-3-12-21(25)23(14-16)19-8-10-20(26-2)11-9-19/h3-12,14,22H,13H2,1-2H3.
What are the key properties of 5-[(4-acetylanilino)methyl]-1-(4-methoxyphenyl)pyridin-2-one?
5-[(4-acetylanilino)methyl]-1-(4-methoxyphenyl)pyridin-2-one has a molecular weight of 348.40 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylanilino)methyl]-1-(4-methoxyphenyl)pyridin-2-one is sourced from PubChem (CID 56848111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).