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

C28H38N2O5 — CID 91052601

IUPACethane;methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate
SMILESCC.CC.CCOc1ccc(C(c2ccc(OC)c(OC)c2)C(C(=O)OC)c2ccncc2)cn1
InChIInChI=1S/C24H26N2O5.2C2H6/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;2*1-2/h6-15,22-23H,5H2,1-4H3;2*1-2H3
InChIKeyGNQOMDULYBDUDT-UHFFFAOYSA-N
MW482.62 g/mol
LogP6.03
Rot. Bonds9

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

ethane;methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate (PubChem CID 91052601) has the molecular formula C28H38N2O5 and a molecular weight of 482.62 g/mol. Its IUPAC name is ethane;methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate.

Molecular Properties

Compound Nameethane;methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate
PubChem CID91052601
Molecular FormulaC28H38N2O5
Molecular Weight482.62 g/mol
Exact Mass482.28
IUPAC Nameethane;methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate
SMILESCC.CC.CCOc1ccc(C(c2ccc(OC)c(OC)c2)C(C(=O)OC)c2ccncc2)cn1
InChIInChI=1S/C24H26N2O5.2C2H6/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;2*1-2/h6-15,22-23H,5H2,1-4H3;2*1-2H3
InChIKeyGNQOMDULYBDUDT-UHFFFAOYSA-N
XLogP6.03
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.62
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate
CID 59936598
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
methyl 4-(6-ethoxy-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171895710
N-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110300926

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate?
The IUPAC name of ethane;methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate (CID 91052601) is ethane;methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate.
What is the SMILES notation for ethane;methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate?
The canonical SMILES for ethane;methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate is CC.CC.CCOc1ccc(C(c2ccc(OC)c(OC)c2)C(C(=O)OC)c2ccncc2)cn1.
What is the InChIKey of ethane;methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate?
The InChIKey is GNQOMDULYBDUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5.2C2H6/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;2*1-2/h6-15,22-23H,5H2,1-4H3;2*1-2H3.
What are the key properties of ethane;methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate?
ethane;methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate has a molecular weight of 482.62 g/mol, XLogP of 6.03, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 3-(3,4-dimethoxyphenyl)-3-(6-ethoxy-3-pyridinyl)-2-pyridin-4-ylpropanoate is sourced from PubChem (CID 91052601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).