4-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-oxobutanenitrile

C25H24N2O4 — CID 58103215

IUPAC4-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-oxobutanenitrile
SMILESCOc1ccc(CCOc2cccc(-c3cccc(CC(=O)CC#N)c3)n2)cc1OC
InChIInChI=1S/C25H24N2O4/c1-29-23-10-9-18(17-24(23)30-2)12-14-31-25-8-4-7-22(27-25)20-6-3-5-19(15-20)16-21(28)11-13-26/h3-10,15,17H,11-12,14,16H2,1-2H3
InChIKeyRYEHAKZFHSPNAU-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.41
Rot. Bonds10

About 4-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-oxobutanenitrile

4-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-oxobutanenitrile (PubChem CID 58103215) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 4-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-oxobutanenitrile.

Molecular Properties

Compound Name4-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-oxobutanenitrile
PubChem CID58103215
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name4-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-oxobutanenitrile
SMILESCOc1ccc(CCOc2cccc(-c3cccc(CC(=O)CC#N)c3)n2)cc1OC
InChIInChI=1S/C25H24N2O4/c1-29-23-10-9-18(17-24(23)30-2)12-14-31-25-8-4-7-22(27-25)20-6-3-5-19(15-20)16-21(28)11-13-26/h3-10,15,17H,11-12,14,16H2,1-2H3
InChIKeyRYEHAKZFHSPNAU-UHFFFAOYSA-N
XLogP4.41
TPSA81.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-oxobutanenitrile 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

2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(1H-imidazol-2-yl)ethanone
CID 58103503
2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 58103300
3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-ethylbenzamide
CID 58103445
2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-(3-nitrophenyl)pyridine
CID 66858018
3-acetamido-N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]benzamide
CID 58103239
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-methoxypropanamide
CID 70804281
N-[2-(diethylamino)ethyl]-3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]benzamide
CID 58103339
N'-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]butanediamide
CID 58103273
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-2-(dimethylamino)acetamide
CID 70804308
3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-pyridin-2-ylethyl)benzamide
CID 58103471
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]pyridine-3-carboxamide
CID 70804278
N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-4-(dimethylamino)butanamide
CID 70804283

Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-oxobutanenitrile?
The IUPAC name of 4-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-oxobutanenitrile (CID 58103215) is 4-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-oxobutanenitrile.
What is the SMILES notation for 4-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-oxobutanenitrile?
The canonical SMILES for 4-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-oxobutanenitrile is COc1ccc(CCOc2cccc(-c3cccc(CC(=O)CC#N)c3)n2)cc1OC.
What is the InChIKey of 4-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-oxobutanenitrile?
The InChIKey is RYEHAKZFHSPNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-29-23-10-9-18(17-24(23)30-2)12-14-31-25-8-4-7-22(27-25)20-6-3-5-19(15-20)16-21(28)11-13-26/h3-10,15,17H,11-12,14,16H2,1-2H3.
What are the key properties of 4-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-oxobutanenitrile?
4-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-oxobutanenitrile has a molecular weight of 416.48 g/mol, XLogP of 4.41, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-3-oxobutanenitrile is sourced from PubChem (CID 58103215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).