N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide

C22H23N3O2 — CID 55637639

IUPACN-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide
SMILESCN(C)c1cc(CNC(=O)c2cccc(OCc3ccccc3)c2)ccn1
InChIInChI=1S/C22H23N3O2/c1-25(2)21-13-18(11-12-23-21)15-24-22(26)19-9-6-10-20(14-19)27-16-17-7-4-3-5-8-17/h3-14H,15-16H2,1-2H3,(H,24,26)
InChIKeyGIWYOVRGESHBNF-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.66
Rot. Bonds7

About N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide

N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide (PubChem CID 55637639) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide
PubChem CID55637639
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide
SMILESCN(C)c1cc(CNC(=O)c2cccc(OCc3ccccc3)c2)ccn1
InChIInChI=1S/C22H23N3O2/c1-25(2)21-13-18(11-12-23-21)15-24-22(26)19-9-6-10-20(14-19)27-16-17-7-4-3-5-8-17/h3-14H,15-16H2,1-2H3,(H,24,26)
InChIKeyGIWYOVRGESHBNF-UHFFFAOYSA-N
XLogP3.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide 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

3-(dimethylamino)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 52685710
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
N-[6-(dimethylamino)-3-pyridinyl]-3-phenylmethoxybenzamide
CID 30271698
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 55846787
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3,4-dimethylbenzamide
CID 47028147
N-[(3-phenylmethoxyphenyl)methyl]-2H-benzotriazole-5-carboxamide
CID 60515368
N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
CID 7492266
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
4-(dimethylsulfamoyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 52685715
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide
CID 23733067

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide?
The IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide (CID 55637639) is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide.
What is the SMILES notation for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide?
The canonical SMILES for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide is CN(C)c1cc(CNC(=O)c2cccc(OCc3ccccc3)c2)ccn1.
What is the InChIKey of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide?
The InChIKey is GIWYOVRGESHBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-25(2)21-13-18(11-12-23-21)15-24-22(26)19-9-6-10-20(14-19)27-16-17-7-4-3-5-8-17/h3-14H,15-16H2,1-2H3,(H,24,26).
What are the key properties of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide?
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide has a molecular weight of 361.45 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 55637639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).