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

C22H22N2O4 — CID 46590121

IUPACN-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCOc1cc(CNC(=O)c2ccc(OCc3cccnc3)cc2)cc(OC)c1
InChIInChI=1S/C22H22N2O4/c1-26-20-10-17(11-21(12-20)27-2)14-24-22(25)18-5-7-19(8-6-18)28-15-16-4-3-9-23-13-16/h3-13H,14-15H2,1-2H3,(H,24,25)
InChIKeyJFESEQCOURKYSL-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.61
Rot. Bonds8

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

N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 46590121) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID46590121
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
SMILESCOc1cc(CNC(=O)c2ccc(OCc3cccnc3)cc2)cc(OC)c1
InChIInChI=1S/C22H22N2O4/c1-26-20-10-17(11-21(12-20)27-2)14-24-22(25)18-5-7-19(8-6-18)28-15-16-4-3-9-23-13-16/h3-13H,14-15H2,1-2H3,(H,24,25)
InChIKeyJFESEQCOURKYSL-UHFFFAOYSA-N
XLogP3.61
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39697713
N-[(3-methoxyphenyl)methyl]-2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 60525181
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
4-(dimethylsulfamoyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708038
4-(5-methylpyrazol-1-yl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708042
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
methyl 6-[[4-(pyridin-3-ylmethoxy)benzoyl]amino]hexanoate
CID 30853271
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
CID 5073153
4-(3-methylbutoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199623

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide (CID 46590121) is N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide is COc1cc(CNC(=O)c2ccc(OCc3cccnc3)cc2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is JFESEQCOURKYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-20-10-17(11-21(12-20)27-2)14-24-22(25)18-5-7-19(8-6-18)28-15-16-4-3-9-23-13-16/h3-13H,14-15H2,1-2H3,(H,24,25).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide?
N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 378.43 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 46590121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).