1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxy-6-methylpyridin-2-one

C14H16N2O4 — CID 135638839

IUPAC1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCOc1ccnc(Cn2c(C)cc(O)cc2=O)c1OC
InChIInChI=1S/C14H16N2O4/c1-9-6-10(17)7-13(18)16(9)8-11-14(20-3)12(19-2)4-5-15-11/h4-7,17H,8H2,1-3H3
InChIKeyNNTPSPFGKMINOX-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.32
Rot. Bonds4

About 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxy-6-methylpyridin-2-one

1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 135638839) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID135638839
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCOc1ccnc(Cn2c(C)cc(O)cc2=O)c1OC
InChIInChI=1S/C14H16N2O4/c1-9-6-10(17)7-13(18)16(9)8-11-14(20-3)12(19-2)4-5-15-11/h4-7,17H,8H2,1-3H3
InChIKeyNNTPSPFGKMINOX-UHFFFAOYSA-N
XLogP1.32
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 103174083
5-amino-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-methylpyridin-2-one
CID 103172820
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-oxopyridine-4-carboxylic acid
CID 103173349
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpyridin-2-one
CID 103174116
3-[(3,4-dimethoxy-2-pyridinyl)methyl]-5,6-dimethylpyrimidin-4-one
CID 119047122
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 103174131
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-6-oxopyridazine-3-carboxylic acid
CID 103173351
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-ethylpiperazine-2,3-dione
CID 72930183
1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol
CID 103173821
3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine
CID 103174085
2-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]piperazin-1-yl]acetic acid
CID 103173472
2-(chloromethyl)-3,4-dimethoxypyridine
CID 5079722

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxy-6-methylpyridin-2-one (CID 135638839) is 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxy-6-methylpyridin-2-one is COc1ccnc(Cn2c(C)cc(O)cc2=O)c1OC.
What is the InChIKey of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is NNTPSPFGKMINOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9-6-10(17)7-13(18)16(9)8-11-14(20-3)12(19-2)4-5-15-11/h4-7,17H,8H2,1-3H3.
What are the key properties of 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxy-6-methylpyridin-2-one?
1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 276.29 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 135638839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).