5-N-(3-bromo-4-methoxyphenyl)-3-N-methylpyridine-3,5-diamine

C13H14BrN3O — CID 113424113

IUPAC5-N-(3-bromo-4-methoxyphenyl)-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(Nc2ccc(OC)c(Br)c2)c1
InChIInChI=1S/C13H14BrN3O/c1-15-10-5-11(8-16-7-10)17-9-3-4-13(18-2)12(14)6-9/h3-8,15,17H,1-2H3
InChIKeyJSGATKUNBYXVMJ-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.64
Rot. Bonds4

About 5-N-(3-bromo-4-methoxyphenyl)-3-N-methylpyridine-3,5-diamine

5-N-(3-bromo-4-methoxyphenyl)-3-N-methylpyridine-3,5-diamine (PubChem CID 113424113) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-N-(3-bromo-4-methoxyphenyl)-3-N-methylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(3-bromo-4-methoxyphenyl)-3-N-methylpyridine-3,5-diamine
PubChem CID113424113
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name5-N-(3-bromo-4-methoxyphenyl)-3-N-methylpyridine-3,5-diamine
SMILESCNc1cncc(Nc2ccc(OC)c(Br)c2)c1
InChIInChI=1S/C13H14BrN3O/c1-15-10-5-11(8-16-7-10)17-9-3-4-13(18-2)12(14)6-9/h3-8,15,17H,1-2H3
InChIKeyJSGATKUNBYXVMJ-UHFFFAOYSA-N
XLogP3.64
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-N-methylpyridine-3,5-diamine
CID 104534939
5-N-(3,4-dichlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 113423614
5-N-(2-bromophenyl)-3-N-methylpyridine-3,5-diamine
CID 104532356
N-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-amine
CID 106573908
N-(3-bromo-4-methoxyphenyl)-1-methylimidazol-2-amine
CID 106573944
N-(3-bromo-4-methoxyphenyl)-1-propan-2-ylimidazol-2-amine
CID 106573915
5-N-(3-chlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 104532340
4-N-(3-bromo-4-methoxyphenyl)-2-propan-2-yloxybenzene-1,4-diamine
CID 83005307
5-N-(3-fluoro-5-methoxyphenyl)-3-N-methylpyridine-3,5-diamine
CID 114262854
5-N-(2-bromo-5-chlorophenyl)-3-N-methylpyridine-3,5-diamine
CID 104535476
N-(3-bromo-4-methoxyphenyl)-4-chloro-1,3-thiazol-2-amine
CID 83156364
4-N-(3-bromo-4-methoxyphenyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80924462

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-bromo-4-methoxyphenyl)-3-N-methylpyridine-3,5-diamine?
The IUPAC name of 5-N-(3-bromo-4-methoxyphenyl)-3-N-methylpyridine-3,5-diamine (CID 113424113) is 5-N-(3-bromo-4-methoxyphenyl)-3-N-methylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(3-bromo-4-methoxyphenyl)-3-N-methylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(3-bromo-4-methoxyphenyl)-3-N-methylpyridine-3,5-diamine is CNc1cncc(Nc2ccc(OC)c(Br)c2)c1.
What is the InChIKey of 5-N-(3-bromo-4-methoxyphenyl)-3-N-methylpyridine-3,5-diamine?
The InChIKey is JSGATKUNBYXVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-15-10-5-11(8-16-7-10)17-9-3-4-13(18-2)12(14)6-9/h3-8,15,17H,1-2H3.
What are the key properties of 5-N-(3-bromo-4-methoxyphenyl)-3-N-methylpyridine-3,5-diamine?
5-N-(3-bromo-4-methoxyphenyl)-3-N-methylpyridine-3,5-diamine has a molecular weight of 308.18 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-bromo-4-methoxyphenyl)-3-N-methylpyridine-3,5-diamine is sourced from PubChem (CID 113424113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).