2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-diamine

C13H14ClN3 — CID 82480063

IUPAC2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-diamine
SMILESCN(Cc1ccccc1)c1ncc(N)cc1Cl
InChIInChI=1S/C13H14ClN3/c1-17(9-10-5-3-2-4-6-10)13-12(14)7-11(15)8-16-13/h2-8H,9,15H2,1H3
InChIKeyRCYMXEWXVDLXRA-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.95
Rot. Bonds3

About 2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-diamine

2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-diamine (PubChem CID 82480063) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-diamine
PubChem CID82480063
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-diamine
SMILESCN(Cc1ccccc1)c1ncc(N)cc1Cl
InChIInChI=1S/C13H14ClN3/c1-17(9-10-5-3-2-4-6-10)13-12(14)7-11(15)8-16-13/h2-8H,9,15H2,1H3
InChIKeyRCYMXEWXVDLXRA-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

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Related Compounds

5-amino-2-[benzyl(methyl)amino]pyridine-3-carboxylic acid
CID 82482899
N-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine
CID 60875712
2-N-[(4-chlorophenyl)methyl]-2-N,3-dimethylpyridine-2,5-diamine
CID 62475698
N-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 60875723
3-chloro-N,5-dimethyl-N-[(4-methylphenyl)methyl]pyridin-2-amine
CID 70610903
5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 62285878
2-N-benzyl-6-chloro-2-N-methylpyridine-2,3-diamine
CID 115473524
2-N-benzyl-2-N-ethyl-3-methylpyridine-2,5-diamine
CID 55080686
3-bromo-2-N-methyl-2-N-(pyridin-3-ylmethyl)pyridine-2,5-diamine
CID 79532611
5-amino-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxamide
CID 61413892
2-N-benzyl-3-bromo-2-N-ethylpyridine-2,5-diamine
CID 79532190
3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 55025705

Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-diamine?
The IUPAC name of 2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-diamine (CID 82480063) is 2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-diamine.
What is the SMILES notation for 2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-diamine?
The canonical SMILES for 2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-diamine is CN(Cc1ccccc1)c1ncc(N)cc1Cl.
What is the InChIKey of 2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-diamine?
The InChIKey is RCYMXEWXVDLXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-17(9-10-5-3-2-4-6-10)13-12(14)7-11(15)8-16-13/h2-8H,9,15H2,1H3.
What are the key properties of 2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-diamine?
2-N-benzyl-3-chloro-2-N-methylpyridine-2,5-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-3-chloro-2-N-methylpyridine-2,5-diamine is sourced from PubChem (CID 82480063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).