methyl 2-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]acetate

C17H21NO5 — CID 57443431

IUPACmethyl 2-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]acetate
SMILESCOC(=O)CC1=CCCN(Cc2ccc(OC)cc2OC)C1=O
InChIInChI=1S/C17H21NO5/c1-21-14-7-6-13(15(10-14)22-2)11-18-8-4-5-12(17(18)20)9-16(19)23-3/h5-7,10H,4,8-9,11H2,1-3H3
InChIKeyQLPBOUJOUPKQLU-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.93
Rot. Bonds6

About methyl 2-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]acetate

methyl 2-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]acetate (PubChem CID 57443431) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is methyl 2-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]acetate
PubChem CID57443431
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Namemethyl 2-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]acetate
SMILESCOC(=O)CC1=CCCN(Cc2ccc(OC)cc2OC)C1=O
InChIInChI=1S/C17H21NO5/c1-21-14-7-6-13(15(10-14)22-2)11-18-8-4-5-12(17(18)20)9-16(19)23-3/h5-7,10H,4,8-9,11H2,1-3H3
InChIKeyQLPBOUJOUPKQLU-UHFFFAOYSA-N
XLogP1.93
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[1-[(2,4-dimethoxyphenyl)methyl]-7-oxo-3,4-dihydro-2H-azepin-6-yl]carbamate
CID 102179433
1-[(2,4-dimethoxyphenyl)methyl]-4-[2-[(2,4-dimethoxyphenyl)methylamino]ethyl]piperazine-2,3-dione;hydrochloride
CID 139953981
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 11254461
methyl (3S,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-3-carboxylate
CID 86680346
(3S,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 86680344
(3R,4R)-1-[(2,4-dimethoxyphenyl)methyl]-4-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 86680349
methyl 1-[1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylate
CID 134478032
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97032922
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 83290643
methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate
CID 11844508
1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid
CID 171151305
1-[(2,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)-4-methylpyrrolidin-2-one
CID 131734574

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]acetate?
The IUPAC name of methyl 2-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]acetate (CID 57443431) is methyl 2-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]acetate.
What is the SMILES notation for methyl 2-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]acetate?
The canonical SMILES for methyl 2-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]acetate is COC(=O)CC1=CCCN(Cc2ccc(OC)cc2OC)C1=O.
What is the InChIKey of methyl 2-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]acetate?
The InChIKey is QLPBOUJOUPKQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-21-14-7-6-13(15(10-14)22-2)11-18-8-4-5-12(17(18)20)9-16(19)23-3/h5-7,10H,4,8-9,11H2,1-3H3.
What are the key properties of methyl 2-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]acetate?
methyl 2-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]acetate has a molecular weight of 319.36 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(2,4-dimethoxyphenyl)methyl]-6-oxo-2,3-dihydropyridin-5-yl]acetate is sourced from PubChem (CID 57443431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).