3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide

C18H23N3O4 — CID 4543569

IUPAC3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCNCc2cccnc2)cc(OC)c1OC
InChIInChI=1S/C18H23N3O4/c1-23-15-9-14(10-16(24-2)17(15)25-3)18(22)21-8-7-20-12-13-5-4-6-19-11-13/h4-6,9-11,20H,7-8,12H2,1-3H3,(H,21,22)
InChIKeyIUNYMAVMIFEXRK-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.63
Rot. Bonds9

About 3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide

3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide (PubChem CID 4543569) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide
PubChem CID4543569
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCNCc2cccnc2)cc(OC)c1OC
InChIInChI=1S/C18H23N3O4/c1-23-15-9-14(10-16(24-2)17(15)25-3)18(22)21-8-7-20-12-13-5-4-6-19-11-13/h4-6,9-11,20H,7-8,12H2,1-3H3,(H,21,22)
InChIKeyIUNYMAVMIFEXRK-UHFFFAOYSA-N
XLogP1.63
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]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

N-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]pyridine-3-carboxamide
CID 108926572
N-[2-[(3-bromophenyl)methylamino]ethyl]-3,4,5-trimethoxybenzamide
CID 3385993
3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 2803194
N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 4238549
3,4,5-trimethoxy-N-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]benzamide
CID 5133336
3,4,5-triethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 669602
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120
4-amino-3-methoxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104782485
4-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 59672655
N-(pyridin-3-ylmethyl)-2-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]acetamide
CID 46295099
3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 86779903

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide (CID 4543569) is 3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide is COc1cc(C(=O)NCCNCc2cccnc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide?
The InChIKey is IUNYMAVMIFEXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-23-15-9-14(10-16(24-2)17(15)25-3)18(22)21-8-7-20-12-13-5-4-6-19-11-13/h4-6,9-11,20H,7-8,12H2,1-3H3,(H,21,22).
What are the key properties of 3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide?
3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide has a molecular weight of 345.40 g/mol, XLogP of 1.63, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-(pyridin-3-ylmethylamino)ethyl]benzamide is sourced from PubChem (CID 4543569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).