5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C23H22N2O6 — CID 55800919

IUPAC5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)c3cc(OC)c4c(c3)OCCO4)cn2)c1
InChIInChI=1S/C23H22N2O6/c1-27-17-4-3-5-18(12-17)31-21-7-6-15(13-24-21)14-25-23(26)16-10-19(28-2)22-20(11-16)29-8-9-30-22/h3-7,10-13H,8-9,14H2,1-2H3,(H,25,26)
InChIKeyGFYRCTNBTBQUNG-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.59
Rot. Bonds7

About 5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 55800919) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is 5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID55800919
Molecular FormulaC23H22N2O6
Molecular Weight422.44 g/mol
Exact Mass422.15
IUPAC Name5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1cccc(Oc2ccc(CNC(=O)c3cc(OC)c4c(c3)OCCO4)cn2)c1
InChIInChI=1S/C23H22N2O6/c1-27-17-4-3-5-18(12-17)31-21-7-6-15(13-24-21)14-25-23(26)16-10-19(28-2)22-20(11-16)29-8-9-30-22/h3-7,10-13H,8-9,14H2,1-2H3,(H,25,26)
InChIKeyGFYRCTNBTBQUNG-UHFFFAOYSA-N
XLogP3.59
TPSA88.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide with MolForge

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Related Compounds

N-benzyl-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777041
3-chloro-4-ethoxy-5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]benzamide
CID 55800500
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-(methylsulfanylmethyl)benzamide
CID 55800754
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55800855
N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 55800853
5-chloro-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 55800565
1-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119847608
4-bromo-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 55858376
5-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17472806
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide;dihydrochloride
CID 119847596
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide
CID 120797996
5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 27540023

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of 5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 55800919) is 5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for 5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for 5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is COc1cccc(Oc2ccc(CNC(=O)c3cc(OC)c4c(c3)OCCO4)cn2)c1.
What is the InChIKey of 5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is GFYRCTNBTBQUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6/c1-27-17-4-3-5-18(12-17)31-21-7-6-15(13-24-21)14-25-23(26)16-10-19(28-2)22-20(11-16)29-8-9-30-22/h3-7,10-13H,8-9,14H2,1-2H3,(H,25,26).
What are the key properties of 5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 422.44 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 55800919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).