methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate

C17H19NO6 — CID 54682925

IUPACmethyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(O)ccn(Cc2ccc(OC)c(OC)c2)c1=O
InChIInChI=1S/C17H19NO6/c1-22-14-5-4-11(8-15(14)23-2)10-18-7-6-13(19)12(17(18)21)9-16(20)24-3/h4-8,19H,9-10H2,1-3H3
InChIKeyJYJLVJKBSNVUQW-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.33
Rot. Bonds6

About methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate

methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate (PubChem CID 54682925) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate
PubChem CID54682925
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Namemethyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate
SMILESCOC(=O)Cc1c(O)ccn(Cc2ccc(OC)c(OC)c2)c1=O
InChIInChI=1S/C17H19NO6/c1-22-14-5-4-11(8-15(14)23-2)10-18-7-6-13(19)12(17(18)21)9-16(20)24-3/h4-8,19H,9-10H2,1-3H3
InChIKeyJYJLVJKBSNVUQW-UHFFFAOYSA-N
XLogP1.33
TPSA86.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Methyl 2-[1-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-2-oxo-1,2-dihydro-3-pyridinyl]acetate
CID 54703888
1-(1,3-Benzodioxol-5-ylmethyl)-4-hydroxy-3-(phenylmethyl)-2(1H)-pyridinone
CID 54679414
Methyl 2-[1-(3,4-dimethoxyphenethyl)-4-hydroxy-2-oxo-1,2-dihydro-3-pyridinyl]acetate
CID 54707837
Methyl 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate
CID 661045
methyl 1-(4-methoxybenzyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
CID 754863
1-[2-(3,4-Dimethoxy-phenyl)-ethyl]-4-(4-hydroxy-benzylidene)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylic acid methyl ester
CID 2270378
1-[4-(3-Ethoxy-4-methoxy-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 647407
Ethyl 1-(3,4-diethoxybenzoyl)piperidine-4-carboxylate
CID 655543
N-[(3,4-dimethoxyphenyl)methyl]-6-oxopyran-3-carboxamide
CID 665841
1-[4-[(3,4-Dimethoxyphenyl)methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 742523
3-(N-((3,4-Dimethoxyphenyl)methyl)carbamoyl)prop-2-enoic acid
CID 849697
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 4299029

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate?
The IUPAC name of methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate (CID 54682925) is methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate?
The canonical SMILES for methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate is COC(=O)Cc1c(O)ccn(Cc2ccc(OC)c(OC)c2)c1=O.
What is the InChIKey of methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate?
The InChIKey is JYJLVJKBSNVUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6/c1-22-14-5-4-11(8-15(14)23-2)10-18-7-6-13(19)12(17(18)21)9-16(20)24-3/h4-8,19H,9-10H2,1-3H3.
What are the key properties of methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate?
methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate has a molecular weight of 333.34 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]acetate is sourced from PubChem (CID 54682925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).