3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide

C17H20N2O4 — CID 126826403

IUPAC3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOCCOc1cccc(C(=O)NCc2cncc(OC)c2)c1
InChIInChI=1S/C17H20N2O4/c1-21-6-7-23-15-5-3-4-14(9-15)17(20)19-11-13-8-16(22-2)12-18-10-13/h3-5,8-10,12H,6-7,11H2,1-2H3,(H,19,20)
InChIKeyLWSITFLXESNCIZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.05
Rot. Bonds8

About 3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide

3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide (PubChem CID 126826403) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide
PubChem CID126826403
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide
SMILESCOCCOc1cccc(C(=O)NCc2cncc(OC)c2)c1
InChIInChI=1S/C17H20N2O4/c1-21-6-7-23-15-5-3-4-14(9-15)17(20)19-11-13-8-16(22-2)12-18-10-13/h3-5,8-10,12H,6-7,11H2,1-2H3,(H,19,20)
InChIKeyLWSITFLXESNCIZ-UHFFFAOYSA-N
XLogP2.05
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide 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-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 142337904
3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
CID 60567441
3-(2-methoxyethoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 86835966
N-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypyridine-3-carboxamide
CID 53138000
N-[[3-(2-methoxyethoxy)phenyl]methyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 55804256
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60968015
N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 92683249
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 17462321
5-[[3-(2-methoxyethoxy)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120688954
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide (CID 126826403) is 3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide is COCCOc1cccc(C(=O)NCc2cncc(OC)c2)c1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide?
The InChIKey is LWSITFLXESNCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-21-6-7-23-15-5-3-4-14(9-15)17(20)19-11-13-8-16(22-2)12-18-10-13/h3-5,8-10,12H,6-7,11H2,1-2H3,(H,19,20).
What are the key properties of 3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide?
3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide has a molecular weight of 316.36 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 126826403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).