N'-benzyl-N-(3-bromo-2-methyl-4-pyridinyl)-N'-pyridin-2-ylethane-1,2-diamine

C20H21BrN4 — CID 166382623

IUPACN'-benzyl-N-(3-bromo-2-methyl-4-pyridinyl)-N'-pyridin-2-ylethane-1,2-diamine
SMILESCc1nccc(NCCN(Cc2ccccc2)c2ccccn2)c1Br
InChIInChI=1S/C20H21BrN4/c1-16-20(21)18(10-12-22-16)23-13-14-25(19-9-5-6-11-24-19)15-17-7-3-2-4-8-17/h2-12H,13-15H2,1H3,(H,22,23)
InChIKeyKTNPFQNFUAQSQH-UHFFFAOYSA-N
MW397.32 g/mol
LogP4.67
Rot. Bonds7

About N'-benzyl-N-(3-bromo-2-methyl-4-pyridinyl)-N'-pyridin-2-ylethane-1,2-diamine

N'-benzyl-N-(3-bromo-2-methyl-4-pyridinyl)-N'-pyridin-2-ylethane-1,2-diamine (PubChem CID 166382623) has the molecular formula C20H21BrN4 and a molecular weight of 397.32 g/mol. Its IUPAC name is N'-benzyl-N-(3-bromo-2-methyl-4-pyridinyl)-N'-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N-(3-bromo-2-methyl-4-pyridinyl)-N'-pyridin-2-ylethane-1,2-diamine
PubChem CID166382623
Molecular FormulaC20H21BrN4
Molecular Weight397.32 g/mol
Exact Mass396.09
IUPAC NameN'-benzyl-N-(3-bromo-2-methyl-4-pyridinyl)-N'-pyridin-2-ylethane-1,2-diamine
SMILESCc1nccc(NCCN(Cc2ccccc2)c2ccccn2)c1Br
InChIInChI=1S/C20H21BrN4/c1-16-20(21)18(10-12-22-16)23-13-14-25(19-9-5-6-11-24-19)15-17-7-3-2-4-8-17/h2-12H,13-15H2,1H3,(H,22,23)
InChIKeyKTNPFQNFUAQSQH-UHFFFAOYSA-N
XLogP4.67
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.32
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-benzyl-N-(3-bromo-2-methyl-4-pyridinyl)-N'-pyridin-2-ylethane-1,2-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

N-[2-[benzyl(pyridin-2-yl)amino]ethyl]-4-methylpyridine-3-sulfonamide
CID 167810244
N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;N'-[(4-chlorophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine
CID 70976609
N'-benzyl-N-[1-(3-ethyl-4-pyridinyl)ethyl]-N'-pyridin-2-ylethane-1,2-diamine
CID 166382610
N-[2-[(4-methoxyphenyl)methyl-pyridin-2-ylamino]ethyl]formamide
CID 4112248
N-benzyl-1,1,2,2-tetradeuterio-N',N'-dimethyl-N-pyridin-2-ylethane-1,2-diamine;hydrochloride
CID 162641472
3-[benzyl-(4-methyl-2-pyridinyl)amino]propanoic acid
CID 82317310
N-[[4-[(dipyridin-2-ylamino)methyl]phenyl]methyl]-N-pyridin-2-ylpyridin-2-amine
CID 91581925
N-benzyl-N-(2-bromoethyl)-3-methylpyridin-2-amine
CID 80675179
N,N-dibenzyl-4-methylpyrimidin-2-amine
CID 66545602
N'-benzyl-N'-(5-bromo-4-methyl-2-pyridinyl)ethane-1,2-diamine
CID 114868985
N-benzyl-N-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 141425890
N-benzyl-N,3-dimethylpyrazin-2-amine;ethane
CID 145242073

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(3-bromo-2-methyl-4-pyridinyl)-N'-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N-(3-bromo-2-methyl-4-pyridinyl)-N'-pyridin-2-ylethane-1,2-diamine (CID 166382623) is N'-benzyl-N-(3-bromo-2-methyl-4-pyridinyl)-N'-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N-(3-bromo-2-methyl-4-pyridinyl)-N'-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N-(3-bromo-2-methyl-4-pyridinyl)-N'-pyridin-2-ylethane-1,2-diamine is Cc1nccc(NCCN(Cc2ccccc2)c2ccccn2)c1Br.
What is the InChIKey of N'-benzyl-N-(3-bromo-2-methyl-4-pyridinyl)-N'-pyridin-2-ylethane-1,2-diamine?
The InChIKey is KTNPFQNFUAQSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4/c1-16-20(21)18(10-12-22-16)23-13-14-25(19-9-5-6-11-24-19)15-17-7-3-2-4-8-17/h2-12H,13-15H2,1H3,(H,22,23).
What are the key properties of N'-benzyl-N-(3-bromo-2-methyl-4-pyridinyl)-N'-pyridin-2-ylethane-1,2-diamine?
N'-benzyl-N-(3-bromo-2-methyl-4-pyridinyl)-N'-pyridin-2-ylethane-1,2-diamine has a molecular weight of 397.32 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(3-bromo-2-methyl-4-pyridinyl)-N'-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 166382623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).