N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide

C20H20N4O — CID 174430362

IUPACN-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide
SMILESNCc1ccccc1NC(=O)c1ccccc1NCc1ccncc1
InChIInChI=1S/C20H20N4O/c21-13-16-5-1-3-7-18(16)24-20(25)17-6-2-4-8-19(17)23-14-15-9-11-22-12-10-15/h1-12,23H,13-14,21H2,(H,24,25)
InChIKeyDCOMQMGQMBPJDU-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.40
Rot. Bonds6

About N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide

N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide (PubChem CID 174430362) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide
PubChem CID174430362
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide
SMILESNCc1ccccc1NC(=O)c1ccccc1NCc1ccncc1
InChIInChI=1S/C20H20N4O/c21-13-16-5-1-3-7-18(16)24-20(25)17-6-2-4-8-19(17)23-14-15-9-11-22-12-10-15/h1-12,23H,13-14,21H2,(H,24,25)
InChIKeyDCOMQMGQMBPJDU-UHFFFAOYSA-N
XLogP3.40
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)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

2-(pyridin-4-ylmethylamino)benzoate
CID 3280709
N-[2-(aminomethyl)phenyl]-2-iodobenzamide
CID 64882136
N-pent-2-en-3-yloxy-2-(pyridin-4-ylmethylamino)benzamide
CID 91322862
N-(2,2,3,3,6-pentafluoro-1,4-benzodioxin-7-yl)-2-(pyridin-4-ylmethylamino)benzamide
CID 59848948
N-(3-phenylpropyl)-2-(pyridin-4-ylmethylamino)benzamide
CID 15462164
(4-iodophenyl) 2-(pyridin-4-ylmethylamino)benzoate
CID 146036323
2-(pyridin-4-ylmethylamino)-N-[2-[2-(trifluoromethyl)phenyl]ethoxy]benzamide
CID 87858763
2-(pyridin-4-ylmethylamino)-N-[[2-(trifluoromethylsulfanyl)phenyl]methoxy]benzamide
CID 58989986
N-[(4-methylphenyl)methoxy]-2-(pyridin-4-ylmethylamino)benzamide
CID 11244953
2-(pyridin-4-ylmethylamino)-N-(1,3-thiazol-4-ylmethoxy)benzamide
CID 11739316
N-hexoxy-2-(pyridin-4-ylmethylamino)benzamide
CID 91261880
2-amino-3-(pyridin-4-ylmethylamino)benzamide
CID 115544647

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide (CID 174430362) is N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide is NCc1ccccc1NC(=O)c1ccccc1NCc1ccncc1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide?
The InChIKey is DCOMQMGQMBPJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c21-13-16-5-1-3-7-18(16)24-20(25)17-6-2-4-8-19(17)23-14-15-9-11-22-12-10-15/h1-12,23H,13-14,21H2,(H,24,25).
What are the key properties of N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide?
N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide has a molecular weight of 332.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]-2-(pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 174430362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).