1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one

C14H16N2O3 — CID 103174116

IUPAC1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one
SMILESCOc1ccnc(Cn2cccc(C)c2=O)c1OC
InChIInChI=1S/C14H16N2O3/c1-10-5-4-8-16(14(10)17)9-11-13(19-3)12(18-2)6-7-15-11/h4-8H,9H2,1-3H3
InChIKeyVDVLHXJQZOAHFS-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.62
Rot. Bonds4

About 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one

1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one (PubChem CID 103174116) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one
PubChem CID103174116
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one
SMILESCOc1ccnc(Cn2cccc(C)c2=O)c1OC
InChIInChI=1S/C14H16N2O3/c1-10-5-4-8-16(14(10)17)9-11-13(19-3)12(18-2)6-7-15-11/h4-8H,9H2,1-3H3
InChIKeyVDVLHXJQZOAHFS-UHFFFAOYSA-N
XLogP1.62
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one
CID 119047122
5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 103172820
3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine
CID 103174085
3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 103174083
4-[(3,4-dimethoxy-2-pyridinyl)methyl]thieno[3,2-b]pyridin-7-one
CID 99832866
N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 103173679
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 103173349
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-fluoroindole
CID 103174105
1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one
CID 115616696
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione
CID 72930183
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxy-6-methylpyridin-2-one
CID 135638839
[4-methoxy-3-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]boronic acid
CID 63172385

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one (CID 103174116) is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one is COc1ccnc(Cn2cccc(C)c2=O)c1OC.
What is the InChIKey of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one?
The InChIKey is VDVLHXJQZOAHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-5-4-8-16(14(10)17)9-11-13(19-3)12(18-2)6-7-15-11/h4-8H,9H2,1-3H3.
What are the key properties of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one?
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one has a molecular weight of 260.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one is sourced from PubChem (CID 103174116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).