4-[2-(dimethylamino)ethoxy]-2-fluoro-N-[[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide

C26H28FN3O5 — CID 139349347

IUPAC4-[2-(dimethylamino)ethoxy]-2-fluoro-N-[[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
SMILESCOc1cccc(-c2cccc3c2OC(CNC(=O)c2ccc(OCCN(C)C)cc2F)CO3)n1
InChIInChI=1S/C26H28FN3O5/c1-30(2)12-13-33-17-10-11-19(21(27)14-17)26(31)28-15-18-16-34-23-8-4-6-20(25(23)35-18)22-7-5-9-24(29-22)32-3/h4-11,14,18H,12-13,15-16H2,1-3H3,(H,28,31)
InChIKeyRYNTYDSVHYWFBT-UHFFFAOYSA-N
MW481.52 g/mol
LogP3.41
Rot. Bonds9

About 4-[2-(dimethylamino)ethoxy]-2-fluoro-N-[[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide

4-[2-(dimethylamino)ethoxy]-2-fluoro-N-[[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide (PubChem CID 139349347) has the molecular formula C26H28FN3O5 and a molecular weight of 481.52 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethoxy]-2-fluoro-N-[[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethoxy]-2-fluoro-N-[[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
PubChem CID139349347
Molecular FormulaC26H28FN3O5
Molecular Weight481.52 g/mol
Exact Mass481.20
IUPAC Name4-[2-(dimethylamino)ethoxy]-2-fluoro-N-[[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
SMILESCOc1cccc(-c2cccc3c2OC(CNC(=O)c2ccc(OCCN(C)C)cc2F)CO3)n1
InChIInChI=1S/C26H28FN3O5/c1-30(2)12-13-33-17-10-11-19(21(27)14-17)26(31)28-15-18-16-34-23-8-4-6-20(25(23)35-18)22-7-5-9-24(29-22)32-3/h4-11,14,18H,12-13,15-16H2,1-3H3,(H,28,31)
InChIKeyRYNTYDSVHYWFBT-UHFFFAOYSA-N
XLogP3.41
TPSA82.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-(dimethylamino)ethoxy]-2-fluoro-N-[[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide 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

4-[2-(dimethylamino)ethoxy]-N-[[(3R)-5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide
CID 134812708
N-[[(3S)-5-bromo-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[2-(dimethylamino)ethoxy]benzamide
CID 139356133
N-[[(3R)-5-(4-amino-6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 139348274
N-[[5-(5-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 155479370
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-fluoro-4-methoxybenzamide
CID 87006864
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluoro-4-methylbenzamide
CID 17459252
[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] 2,4-dimethoxybenzoate
CID 18171279
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 117075243
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-fluorobenzamide
CID 42908439
2-fluoro-4-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 102882104
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-ethoxybenzamide
CID 3131753
N-[(2-chlorocyclopentyl)methyl]-2-fluoro-4-methoxybenzamide
CID 102885202

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethoxy]-2-fluoro-N-[[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide?
The IUPAC name of 4-[2-(dimethylamino)ethoxy]-2-fluoro-N-[[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide (CID 139349347) is 4-[2-(dimethylamino)ethoxy]-2-fluoro-N-[[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethoxy]-2-fluoro-N-[[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide?
The canonical SMILES for 4-[2-(dimethylamino)ethoxy]-2-fluoro-N-[[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide is COc1cccc(-c2cccc3c2OC(CNC(=O)c2ccc(OCCN(C)C)cc2F)CO3)n1.
What is the InChIKey of 4-[2-(dimethylamino)ethoxy]-2-fluoro-N-[[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide?
The InChIKey is RYNTYDSVHYWFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O5/c1-30(2)12-13-33-17-10-11-19(21(27)14-17)26(31)28-15-18-16-34-23-8-4-6-20(25(23)35-18)22-7-5-9-24(29-22)32-3/h4-11,14,18H,12-13,15-16H2,1-3H3,(H,28,31).
What are the key properties of 4-[2-(dimethylamino)ethoxy]-2-fluoro-N-[[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide?
4-[2-(dimethylamino)ethoxy]-2-fluoro-N-[[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide has a molecular weight of 481.52 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethoxy]-2-fluoro-N-[[5-(6-methoxy-2-pyridinyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]benzamide is sourced from PubChem (CID 139349347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).