2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine

C13H14ClN3 — CID 115473524

IUPAC2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine
SMILESCN(Cc1ccccc1)c1nc(Cl)ccc1N
InChIInChI=1S/C13H14ClN3/c1-17(9-10-5-3-2-4-6-10)13-11(15)7-8-12(14)16-13/h2-8H,9,15H2,1H3
InChIKeyNLTDMZLEPUHXAC-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.95
Rot. Bonds3

About 2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine

2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine (PubChem CID 115473524) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine
PubChem CID115473524
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine
SMILESCN(Cc1ccccc1)c1nc(Cl)ccc1N
InChIInChI=1S/C13H14ClN3/c1-17(9-10-5-3-2-4-6-10)13-11(15)7-8-12(14)16-13/h2-8H,9,15H2,1H3
InChIKeyNLTDMZLEPUHXAC-UHFFFAOYSA-N
XLogP2.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine 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-N-benzyl-2-N,6-dimethylpyridine-2,3-diamine
CID 79020868
5-amino-6-[benzyl(methyl)amino]pyridine-2-carboxamide
CID 114405125
2-N-benzyl-6-chloro-2-N-propan-2-ylpyridine-2,3-diamine
CID 115473540
2-N-[(5-bromothiophen-3-yl)methyl]-6-chloro-2-N-methylpyridine-2,3-diamine
CID 113316842
2-N-[(3-chlorophenyl)methyl]-2-N,6-dimethylpyridine-2,3-diamine
CID 81131729
2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-diamine
CID 82480063
3-N-benzyl-3-N,1-dimethylpyrazole-3,4-diamine
CID 103077806
6-chloro-2-N-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 115474266
6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine
CID 115474337
5-[(3-amino-6-chloro-2-pyridinyl)-methylamino]pentan-1-ol
CID 107197978
5-amino-6-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboxylic acid
CID 114405667
N-benzyl-2-tert-butyl-6-chloro-N,5-dimethylpyrimidin-4-amine
CID 80973830

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine?
The IUPAC name of 2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine (CID 115473524) is 2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine?
The canonical SMILES for 2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine is CN(Cc1ccccc1)c1nc(Cl)ccc1N.
What is the InChIKey of 2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine?
The InChIKey is NLTDMZLEPUHXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-17(9-10-5-3-2-4-6-10)13-11(15)7-8-12(14)16-13/h2-8H,9,15H2,1H3.
What are the key properties of 2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine?
2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine has a molecular weight of 247.73 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine is sourced from PubChem (CID 115473524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).