4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

C22H22N2O4 — CID 59672655

IUPAC4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(-c3cccnc3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H22N2O4/c1-26-19-11-15(12-20(27-2)21(19)28-3)13-24-22(25)17-8-6-16(7-9-17)18-5-4-10-23-14-18/h4-12,14H,13H2,1-3H3,(H,24,25)
InChIKeyOJUOHUHCGRFOLH-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.70
Rot. Bonds7

About 4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 59672655) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID59672655
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2ccc(-c3cccnc3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H22N2O4/c1-26-19-11-15(12-20(27-2)21(19)28-3)13-24-22(25)17-8-6-16(7-9-17)18-5-4-10-23-14-18/h4-12,14H,13H2,1-3H3,(H,24,25)
InChIKeyOJUOHUHCGRFOLH-UHFFFAOYSA-N
XLogP3.70
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide
CID 36936630
N-[(3,4-diethoxyphenyl)methyl]-4-pyridin-3-ylbenzamide
CID 50831636
3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070
4-pyridin-3-yl-2-[[(3,4,5-trimethoxyphenyl)methylamino]methyl]phenol
CID 118757685
4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55875017
4-ethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261598
N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586
2-(2-methoxyphenyl)-N-[(5-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 131702715
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide
CID 4543569
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
N-[(2,3-dimethoxyphenyl)methyl]-6-pyridin-3-ylpyridine-3-carboxamide
CID 53149720
4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261622

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (CID 59672655) is 4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is COc1cc(CNC(=O)c2ccc(-c3cccnc3)cc2)cc(OC)c1OC.
What is the InChIKey of 4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is OJUOHUHCGRFOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-19-11-15(12-20(27-2)21(19)28-3)13-24-22(25)17-8-6-16(7-9-17)18-5-4-10-23-14-18/h4-12,14H,13H2,1-3H3,(H,24,25).
What are the key properties of 4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 378.43 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 59672655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).