3-(3,4-dimethoxy-5-pyridin-3-ylphenyl)butanoic acid

C17H19NO4 — CID 110447340

IUPAC3-(3,4-dimethoxy-5-pyridin-3-ylphenyl)butanoic acid
SMILESCOc1cc(C(C)CC(=O)O)cc(-c2cccnc2)c1OC
InChIInChI=1S/C17H19NO4/c1-11(7-16(19)20)13-8-14(12-5-4-6-18-10-12)17(22-3)15(9-13)21-2/h4-6,8-11H,7H2,1-3H3,(H,19,20)
InChIKeyOUHUYIOSXQHRJT-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.34
Rot. Bonds6

About 3-(3,4-dimethoxy-5-pyridin-3-ylphenyl)butanoic acid

3-(3,4-dimethoxy-5-pyridin-3-ylphenyl)butanoic acid (PubChem CID 110447340) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 3-(3,4-dimethoxy-5-pyridin-3-ylphenyl)butanoic acid.

Molecular Properties

Compound Name3-(3,4-dimethoxy-5-pyridin-3-ylphenyl)butanoic acid
PubChem CID110447340
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name3-(3,4-dimethoxy-5-pyridin-3-ylphenyl)butanoic acid
SMILESCOc1cc(C(C)CC(=O)O)cc(-c2cccnc2)c1OC
InChIInChI=1S/C17H19NO4/c1-11(7-16(19)20)13-8-14(12-5-4-6-18-10-12)17(22-3)15(9-13)21-2/h4-6,8-11H,7H2,1-3H3,(H,19,20)
InChIKeyOUHUYIOSXQHRJT-UHFFFAOYSA-N
XLogP3.34
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-dimethoxy-5-pyridin-3-ylphenyl)butanoic acid 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

3-[3,4-dimethoxy-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]butanoic acid
CID 110447364
2-(3,4-dimethoxy-5-pyridin-3-ylphenyl)ethanamine
CID 39226574
3-pyridin-3-yl-N-(3,4,5-trimethoxyphenyl)butanamide
CID 110651095
3,4-dimethoxy-5-pyridin-3-ylbenzonitrile
CID 39231339
3-(2,3-dimethoxyphenyl)pyridine
CID 22001178
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
5-pyridin-3-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 55780169
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
ethyl (3S)-3-amino-3-(3,4-dimethoxy-5-phenylphenyl)propanoate
CID 140935545
3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid
CID 110447484
2-(3-methoxy-5-pyridin-3-yl-4-pyridinyl)acetic acid
CID 131870032
3-(5-pyridin-3-yl-1H-imidazol-2-yl)butanoic acid
CID 116878820

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxy-5-pyridin-3-ylphenyl)butanoic acid?
The IUPAC name of 3-(3,4-dimethoxy-5-pyridin-3-ylphenyl)butanoic acid (CID 110447340) is 3-(3,4-dimethoxy-5-pyridin-3-ylphenyl)butanoic acid.
What is the SMILES notation for 3-(3,4-dimethoxy-5-pyridin-3-ylphenyl)butanoic acid?
The canonical SMILES for 3-(3,4-dimethoxy-5-pyridin-3-ylphenyl)butanoic acid is COc1cc(C(C)CC(=O)O)cc(-c2cccnc2)c1OC.
What is the InChIKey of 3-(3,4-dimethoxy-5-pyridin-3-ylphenyl)butanoic acid?
The InChIKey is OUHUYIOSXQHRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-11(7-16(19)20)13-8-14(12-5-4-6-18-10-12)17(22-3)15(9-13)21-2/h4-6,8-11H,7H2,1-3H3,(H,19,20).
What are the key properties of 3-(3,4-dimethoxy-5-pyridin-3-ylphenyl)butanoic acid?
3-(3,4-dimethoxy-5-pyridin-3-ylphenyl)butanoic acid has a molecular weight of 301.34 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxy-5-pyridin-3-ylphenyl)butanoic acid is sourced from PubChem (CID 110447340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).