N'-(5-bromo-3-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine

C16H20BrN3O — CID 79712264

IUPACN'-(5-bromo-3-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccccc1N(CCCN)c1ncc(Br)cc1C
InChIInChI=1S/C16H20BrN3O/c1-12-10-13(17)11-19-16(12)20(9-5-8-18)14-6-3-4-7-15(14)21-2/h3-4,6-7,10-11H,5,8-9,18H2,1-2H3
InChIKeyOKDAUVOXDPICHB-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.65
Rot. Bonds6

About N'-(5-bromo-3-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine

N'-(5-bromo-3-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine (PubChem CID 79712264) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is N'-(5-bromo-3-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-bromo-3-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
PubChem CID79712264
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC NameN'-(5-bromo-3-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine
SMILESCOc1ccccc1N(CCCN)c1ncc(Br)cc1C
InChIInChI=1S/C16H20BrN3O/c1-12-10-13(17)11-19-16(12)20(9-5-8-18)14-6-3-4-7-15(14)21-2/h3-4,6-7,10-11H,5,8-9,18H2,1-2H3
InChIKeyOKDAUVOXDPICHB-UHFFFAOYSA-N
XLogP3.65
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-3-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine?
The IUPAC name of N'-(5-bromo-3-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine (CID 79712264) is N'-(5-bromo-3-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(5-bromo-3-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(5-bromo-3-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine is COc1ccccc1N(CCCN)c1ncc(Br)cc1C.
What is the InChIKey of N'-(5-bromo-3-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine?
The InChIKey is OKDAUVOXDPICHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-12-10-13(17)11-19-16(12)20(9-5-8-18)14-6-3-4-7-15(14)21-2/h3-4,6-7,10-11H,5,8-9,18H2,1-2H3.
What are the key properties of N'-(5-bromo-3-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine?
N'-(5-bromo-3-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine has a molecular weight of 350.26 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromo-3-methyl-2-pyridinyl)-N'-(2-methoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 79712264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).