1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-methoxy-2-pyridinyl)methoxy]pyridin-2-one

C24H27N3O4 — CID 91759588

IUPAC1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-methoxy-2-pyridinyl)methoxy]pyridin-2-one
SMILESCOc1ccc(COc2ccn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1
InChIInChI=1S/C24H27N3O4/c1-17-11-18(14-26(2)3)5-8-22(17)23(28)15-27-10-9-20(12-24(27)29)31-16-19-6-7-21(30-4)13-25-19/h5-13H,14-16H2,1-4H3
InChIKeyRCGWWFBTKWIBAQ-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.08
Rot. Bonds9

About 1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-methoxy-2-pyridinyl)methoxy]pyridin-2-one

1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-methoxy-2-pyridinyl)methoxy]pyridin-2-one (PubChem CID 91759588) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-methoxy-2-pyridinyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-methoxy-2-pyridinyl)methoxy]pyridin-2-one
PubChem CID91759588
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-methoxy-2-pyridinyl)methoxy]pyridin-2-one
SMILESCOc1ccc(COc2ccn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1
InChIInChI=1S/C24H27N3O4/c1-17-11-18(14-26(2)3)5-8-22(17)23(28)15-27-10-9-20(12-24(27)29)31-16-19-6-7-21(30-4)13-25-19/h5-13H,14-16H2,1-4H3
InChIKeyRCGWWFBTKWIBAQ-UHFFFAOYSA-N
XLogP3.08
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-methoxy-2-pyridinyl)methoxy]pyridin-2-one with MolForge

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Related Compounds

3-(4-(Phenoxymethyl)phenyl)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16736226
3-(2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-{[(6-methylpyridin-3-yl)oxy]methyl}-phenyl)propanoic acid
CID 10051189
3-(2-({[(1R)-1-(3,5-Dimethylphenyl)-3-methylbutyl]-amino}carbonyl)-4-{[(2-methylpyridin-3-yl)oxy]methyl}-phenyl)propanoic acid
CID 10480657
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-phenylbenzamide
CID 46195690
N-[2-[[4-[4-[[4-(2,2-dimethylpropyl)-2-oxopiperazin-1-yl]methyl]-3-methylphenyl]-3-pyridinyl]oxy]ethyl]-N-methylprop-2-enamide
CID 168281511
N-methyl-N-[2-[[4-[3-methyl-4-[[4-(2-methylpropyl)-2-oxopiperazin-1-yl]methyl]phenyl]-3-pyridinyl]oxy]ethyl]prop-2-enamide
CID 168288609
3,4-Dimethylbenzoic acid (6-methyl-3-pyridinyl) ester
CID 3242485
2-[1-(2-Methoxyphenyl)-2-oxo-5-pyridin-2-yl-3-pyridinyl]benzonitrile
CID 10293091
(S)-4-Methoxy-2-{[5-(pyridin-3-yloxymethyl)-biphenyl-2-carbonyl]-amino}-butyric acid
CID 10550051
N-(4-tert-butylphenyl)-4-(3-propoxypyridin-2-yl)benzamide
CID 44416971
2-(2-(4-((dimethylamino)methyl)-2-methylphenyl)-2-oxoethyl)-5-((5-methoxypyridin-2-yl)methoxy)pyridazin-3(2H)-one
CID 71714121
4-[(5-Chloro-2-pyridinyl)methoxy]-1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]pyridin-2-one
CID 71731948

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-methoxy-2-pyridinyl)methoxy]pyridin-2-one?
The IUPAC name of 1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-methoxy-2-pyridinyl)methoxy]pyridin-2-one (CID 91759588) is 1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-methoxy-2-pyridinyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-methoxy-2-pyridinyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-methoxy-2-pyridinyl)methoxy]pyridin-2-one is COc1ccc(COc2ccn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1.
What is the InChIKey of 1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-methoxy-2-pyridinyl)methoxy]pyridin-2-one?
The InChIKey is RCGWWFBTKWIBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-17-11-18(14-26(2)3)5-8-22(17)23(28)15-27-10-9-20(12-24(27)29)31-16-19-6-7-21(30-4)13-25-19/h5-13H,14-16H2,1-4H3.
What are the key properties of 1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-methoxy-2-pyridinyl)methoxy]pyridin-2-one?
1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-methoxy-2-pyridinyl)methoxy]pyridin-2-one has a molecular weight of 421.50 g/mol, XLogP of 3.08, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-[(5-methoxy-2-pyridinyl)methoxy]pyridin-2-one is sourced from PubChem (CID 91759588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).