methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate

C24H26N2O5 — CID 59936598

IUPACmethyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate
SMILESCCOc1ccc(C(c2ccc(OC)c(OC)c2)C(C(=O)OC)c2ccncc2)cn1
InChIInChI=1S/C24H26N2O5/c1-5-31-21-9-7-18(15-26-21)22(17-6-8-19(28-2)20(14-17)29-3)23(24(27)30-4)16-10-12-25-13-11-16/h6-15,22-23H,5H2,1-4H3
InChIKeyMZDWTUAPSZNMBU-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.98
Rot. Bonds9

About methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate

methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate (PubChem CID 59936598) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate
PubChem CID59936598
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Namemethyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate
SMILESCCOc1ccc(C(c2ccc(OC)c(OC)c2)C(C(=O)OC)c2ccncc2)cn1
InChIInChI=1S/C24H26N2O5/c1-5-31-21-9-7-18(15-26-21)22(17-6-8-19(28-2)20(14-17)29-3)23(24(27)30-4)16-10-12-25-13-11-16/h6-15,22-23H,5H2,1-4H3
InChIKeyMZDWTUAPSZNMBU-UHFFFAOYSA-N
XLogP3.98
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate 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

ethane;methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate
CID 91052601
2-bromo-5-[1-(3,4-dimethoxyphenyl)-2-pyridin-4-ylpropyl]pyridine;ethane
CID 91505346
methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate
CID 60788044
4-(6-ethoxy-3-pyridinyl)-3,4-dihydroxybutanamide
CID 171899294
3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171869417
3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 170875743
methyl 2-(3,4-diethoxyphenyl)propanoate
CID 55071930
N-[acetamido-(3-ethoxy-4-methoxyphenyl)methyl]acetamide
CID 5120159
(2R)-2-amino-2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 124634766
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
N-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110300926
methyl 4-(6-ethoxy-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171895710

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate?
The IUPAC name of methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate (CID 59936598) is methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate.
What is the SMILES notation for methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate?
The canonical SMILES for methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate is CCOc1ccc(C(c2ccc(OC)c(OC)c2)C(C(=O)OC)c2ccncc2)cn1.
What is the InChIKey of methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate?
The InChIKey is MZDWTUAPSZNMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-5-31-21-9-7-18(15-26-21)22(17-6-8-19(28-2)20(14-17)29-3)23(24(27)30-4)16-10-12-25-13-11-16/h6-15,22-23H,5H2,1-4H3.
What are the key properties of methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate?
methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate has a molecular weight of 422.48 g/mol, XLogP of 3.98, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate is sourced from PubChem (CID 59936598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).