5-[3-methoxy-4-(methylaminomethyl)phenyl]-1,3-dimethylpyridin-2-one

C16H20N2O2 — CID 134258720

IUPAC5-[3-methoxy-4-(methylaminomethyl)phenyl]-1,3-dimethylpyridin-2-one
SMILESCNCc1ccc(-c2cc(C)c(=O)n(C)c2)cc1OC
InChIInChI=1S/C16H20N2O2/c1-11-7-14(10-18(3)16(11)19)12-5-6-13(9-17-2)15(8-12)20-4/h5-8,10,17H,9H2,1-4H3
InChIKeyRKMZAFBDWADYNE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.09
Rot. Bonds4

About 5-[3-methoxy-4-(methylaminomethyl)phenyl]-1,3-dimethylpyridin-2-one

5-[3-methoxy-4-(methylaminomethyl)phenyl]-1,3-dimethylpyridin-2-one (PubChem CID 134258720) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[3-methoxy-4-(methylaminomethyl)phenyl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[3-methoxy-4-(methylaminomethyl)phenyl]-1,3-dimethylpyridin-2-one
PubChem CID134258720
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-[3-methoxy-4-(methylaminomethyl)phenyl]-1,3-dimethylpyridin-2-one
SMILESCNCc1ccc(-c2cc(C)c(=O)n(C)c2)cc1OC
InChIInChI=1S/C16H20N2O2/c1-11-7-14(10-18(3)16(11)19)12-5-6-13(9-17-2)15(8-12)20-4/h5-8,10,17H,9H2,1-4H3
InChIKeyRKMZAFBDWADYNE-UHFFFAOYSA-N
XLogP2.09
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

chlorocyclobutane;5-(4-ethyl-3-methoxyphenyl)-1,3-dimethylpyridin-2-one
CID 145148149
5-[3-methoxy-4-[(5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl)methyl]phenyl]-1,3-dimethylpyridin-2-one
CID 167131888
5-[4-(2,5-diazabicyclo[2.2.0]hexan-2-ylmethyl)-3-methoxyphenyl]-1,3-dimethylpyridin-2-one
CID 167131862
5-[4-[[(4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-3-methoxyphenyl]-1,3-dimethylpyridin-2-one
CID 134258604
5-[4-(chloromethyl)-3-methylphenyl]-1,3-dimethylpyridin-2-one
CID 134247830
4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methoxy-6-methylbenzaldehyde;ethane
CID 145148169
5-[4-[[4-[(3-fluorobenzimidazol-5-yl)methyl]piperazin-1-yl]methyl]-3-methoxyphenyl]-1,3-dimethylpyridin-2-one
CID 167131952
N-[4-(dimethylamino)butyl]-4-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-methoxybenzenesulfonamide
CID 167131780
5-(3,4-diaminophenyl)-1,3-dimethylpyridin-2-one
CID 126582767
1-[4-(3,4-dimethoxyphenyl)-2,6-dimethylphenyl]-N-methylmethanamine
CID 172876699
1,3-dimethyl-5-[3-methyl-4-(piperazin-1-ylmethyl)phenyl]pyridin-2-one
CID 134247808
1-[2-(3,4-dimethylphenyl)-4,5-dimethoxyphenyl]-N-methylmethanamine
CID 61032532

Frequently Asked Questions

What is the IUPAC name of 5-[3-methoxy-4-(methylaminomethyl)phenyl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[3-methoxy-4-(methylaminomethyl)phenyl]-1,3-dimethylpyridin-2-one (CID 134258720) is 5-[3-methoxy-4-(methylaminomethyl)phenyl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[3-methoxy-4-(methylaminomethyl)phenyl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[3-methoxy-4-(methylaminomethyl)phenyl]-1,3-dimethylpyridin-2-one is CNCc1ccc(-c2cc(C)c(=O)n(C)c2)cc1OC.
What is the InChIKey of 5-[3-methoxy-4-(methylaminomethyl)phenyl]-1,3-dimethylpyridin-2-one?
The InChIKey is RKMZAFBDWADYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-7-14(10-18(3)16(11)19)12-5-6-13(9-17-2)15(8-12)20-4/h5-8,10,17H,9H2,1-4H3.
What are the key properties of 5-[3-methoxy-4-(methylaminomethyl)phenyl]-1,3-dimethylpyridin-2-one?
5-[3-methoxy-4-(methylaminomethyl)phenyl]-1,3-dimethylpyridin-2-one has a molecular weight of 272.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methoxy-4-(methylaminomethyl)phenyl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 134258720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).