3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide

C23H24N2O5 — CID 55708070

IUPAC3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(OCc3cccnc3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H24N2O5/c1-27-20-11-18(12-21(28-2)22(20)29-3)23(26)25-14-16-6-8-19(9-7-16)30-15-17-5-4-10-24-13-17/h4-13H,14-15H2,1-3H3,(H,25,26)
InChIKeyJZNFRJNMOMDXQP-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.62
Rot. Bonds9

About 3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide

3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide (PubChem CID 55708070) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
PubChem CID55708070
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2ccc(OCc3cccnc3)cc2)cc(OC)c1OC
InChIInChI=1S/C23H24N2O5/c1-27-20-11-18(12-21(28-2)22(20)29-3)23(26)25-14-16-6-8-19(9-7-16)30-15-17-5-4-10-24-13-17/h4-13H,14-15H2,1-3H3,(H,25,26)
InChIKeyJZNFRJNMOMDXQP-UHFFFAOYSA-N
XLogP3.62
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46590121
4-methoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 46469585
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 4543569
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 2803194
N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55880789
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
5-(methoxymethyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 78876213
N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39697713
5-methoxy-2-methyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-benzofuran-3-carboxamide
CID 55839775
4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708038
N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 60525181

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide (CID 55708070) is 3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide is COc1cc(C(=O)NCc2ccc(OCc3cccnc3)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide?
The InChIKey is JZNFRJNMOMDXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-27-20-11-18(12-21(28-2)22(20)29-3)23(26)25-14-16-6-8-19(9-7-16)30-15-17-5-4-10-24-13-17/h4-13H,14-15H2,1-3H3,(H,25,26).
What are the key properties of 3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide?
3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide has a molecular weight of 408.45 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 55708070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).