3-[[(5-bromo-2-pyridinyl)-methylamino]methyl]benzamide

C14H14BrN3O — CID 75421846

IUPAC3-[[(5-bromo-2-pyridinyl)-methylamino]methyl]benzamide
SMILESCN(Cc1cccc(C(N)=O)c1)c1ccc(Br)cn1
InChIInChI=1S/C14H14BrN3O/c1-18(13-6-5-12(15)8-17-13)9-10-3-2-4-11(7-10)14(16)19/h2-8H,9H2,1H3,(H2,16,19)
InChIKeyHNFISKAUUXFFQI-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.58
Rot. Bonds4

About 3-[[(5-bromo-2-pyridinyl)-methylamino]methyl]benzamide

3-[[(5-bromo-2-pyridinyl)-methylamino]methyl]benzamide (PubChem CID 75421846) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 3-[[(5-bromo-2-pyridinyl)-methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(5-bromo-2-pyridinyl)-methylamino]methyl]benzamide
PubChem CID75421846
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name3-[[(5-bromo-2-pyridinyl)-methylamino]methyl]benzamide
SMILESCN(Cc1cccc(C(N)=O)c1)c1ccc(Br)cn1
InChIInChI=1S/C14H14BrN3O/c1-18(13-6-5-12(15)8-17-13)9-10-3-2-4-11(7-10)14(16)19/h2-8H,9H2,1H3,(H2,16,19)
InChIKeyHNFISKAUUXFFQI-UHFFFAOYSA-N
XLogP2.58
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[(5-bromo-2-pyridinyl)-methylamino]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

6-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 76903782
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
5-bromo-N-[(3,4-dimethylphenyl)methyl]-N-methylpyridin-2-amine
CID 115146736
N'-hydroxy-3-[[methyl-(5-methyl-2-pyridinyl)amino]methyl]benzenecarboximidamide
CID 76979072
2-[(3-aminophenyl)methyl-(5-bromo-2-pyridinyl)amino]acetamide
CID 60875903
3-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 104797610
3-[[(5-bromo-4-methyl-2-pyridinyl)-methylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 114869106
3-amino-4-[(3-bromophenyl)methyl-methylamino]benzamide
CID 61415810
3-[(4-bromo-N-methylanilino)methyl]benzoic acid
CID 115221790
3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
5-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55137560
2-N-[(3-bromophenyl)methyl]-2-N,4-dimethylpyridine-2,5-diamine
CID 79173849

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-bromo-2-pyridinyl)-methylamino]methyl]benzamide?
The IUPAC name of 3-[[(5-bromo-2-pyridinyl)-methylamino]methyl]benzamide (CID 75421846) is 3-[[(5-bromo-2-pyridinyl)-methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[(5-bromo-2-pyridinyl)-methylamino]methyl]benzamide?
The canonical SMILES for 3-[[(5-bromo-2-pyridinyl)-methylamino]methyl]benzamide is CN(Cc1cccc(C(N)=O)c1)c1ccc(Br)cn1.
What is the InChIKey of 3-[[(5-bromo-2-pyridinyl)-methylamino]methyl]benzamide?
The InChIKey is HNFISKAUUXFFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c1-18(13-6-5-12(15)8-17-13)9-10-3-2-4-11(7-10)14(16)19/h2-8H,9H2,1H3,(H2,16,19).
What are the key properties of 3-[[(5-bromo-2-pyridinyl)-methylamino]methyl]benzamide?
3-[[(5-bromo-2-pyridinyl)-methylamino]methyl]benzamide has a molecular weight of 320.19 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-bromo-2-pyridinyl)-methylamino]methyl]benzamide is sourced from PubChem (CID 75421846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).