2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine

C14H16BrN3 — CID 79532190

IUPAC2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine
SMILESCCN(Cc1ccccc1)c1ncc(N)cc1Br
InChIInChI=1S/C14H16BrN3/c1-2-18(10-11-6-4-3-5-7-11)14-13(15)8-12(16)9-17-14/h3-9H,2,10,16H2,1H3
InChIKeyCULIBPDDSJSVEC-UHFFFAOYSA-N
MW306.21 g/mol
LogP3.45
Rot. Bonds4

About 2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine

2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine (PubChem CID 79532190) has the molecular formula C14H16BrN3 and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine
PubChem CID79532190
Molecular FormulaC14H16BrN3
Molecular Weight306.21 g/mol
Exact Mass305.05
IUPAC Name2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine
SMILESCCN(Cc1ccccc1)c1ncc(N)cc1Br
InChIInChI=1S/C14H16BrN3/c1-2-18(10-11-6-4-3-5-7-11)14-13(15)8-12(16)9-17-14/h3-9H,2,10,16H2,1H3
InChIKeyCULIBPDDSJSVEC-UHFFFAOYSA-N
XLogP3.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-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-3-bromo-2-N-propylpyridine-2,5-diamine
CID 79531545
2-N-benzyl-2-N-ethyl-3-methylpyridine-2,5-diamine
CID 55080686
N-benzyl-3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114836690
6-[benzyl(ethyl)amino]-5-bromopyridine-3-carboxylic acid
CID 84610251
4-N-benzyl-5-bromo-4-N-ethylpyridine-2,4-diamine
CID 131227921
2-N-ethyl-3-methyl-2-N-(pyridin-4-ylmethyl)pyridine-2,5-diamine
CID 62476714
2-[(5-amino-3-bromo-2-pyridinyl)-ethylamino]-N-methylacetamide
CID 79531786
3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 79531788
N-[(3-aminophenyl)methyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine
CID 79718732
3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 79532611
3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine
CID 82965351
2-N-ethyl-3-methyl-2-N-[(2-methylphenyl)methyl]pyridine-2,5-diamine
CID 62475354

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine?
The IUPAC name of 2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine (CID 79532190) is 2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine?
The canonical SMILES for 2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine is CCN(Cc1ccccc1)c1ncc(N)cc1Br.
What is the InChIKey of 2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine?
The InChIKey is CULIBPDDSJSVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3/c1-2-18(10-11-6-4-3-5-7-11)14-13(15)8-12(16)9-17-14/h3-9H,2,10,16H2,1H3.
What are the key properties of 2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine?
2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine has a molecular weight of 306.21 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine is sourced from PubChem (CID 79532190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).