N'-(3-benzyl-7-bromo-5H-indeno[1,2-c]pyridin-1-yl)-N,N,N'-trimethylpropane-1,3-diamine

C25H28BrN3 — CID 161470706

IUPACN'-(3-benzyl-7-bromo-5H-indeno[1,2-c]pyridin-1-yl)-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1nc(Cc2ccccc2)cc2c1-c1ccc(Br)cc1C2
InChIInChI=1S/C25H28BrN3/c1-28(2)12-7-13-29(3)25-24-20(15-19-16-21(26)10-11-23(19)24)17-22(27-25)14-18-8-5-4-6-9-18/h4-6,8-11,16-17H,7,12-15H2,1-3H3
InChIKeyWDARFHNOCBBVON-UHFFFAOYSA-N
MW450.42 g/mol
LogP5.39
Rot. Bonds7

About N'-(3-benzyl-7-bromo-5H-indeno[1,2-c]pyridin-1-yl)-N,N,N'-trimethylpropane-1,3-diamine

N'-(3-benzyl-7-bromo-5H-indeno[1,2-c]pyridin-1-yl)-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 161470706) has the molecular formula C25H28BrN3 and a molecular weight of 450.42 g/mol. Its IUPAC name is N'-(3-benzyl-7-bromo-5H-indeno[1,2-c]pyridin-1-yl)-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-benzyl-7-bromo-5H-indeno[1,2-c]pyridin-1-yl)-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID161470706
Molecular FormulaC25H28BrN3
Molecular Weight450.42 g/mol
Exact Mass449.15
IUPAC NameN'-(3-benzyl-7-bromo-5H-indeno[1,2-c]pyridin-1-yl)-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1nc(Cc2ccccc2)cc2c1-c1ccc(Br)cc1C2
InChIInChI=1S/C25H28BrN3/c1-28(2)12-7-13-29(3)25-24-20(15-19-16-21(26)10-11-23(19)24)17-22(27-25)14-18-8-5-4-6-9-18/h4-6,8-11,16-17H,7,12-15H2,1-3H3
InChIKeyWDARFHNOCBBVON-UHFFFAOYSA-N
XLogP5.39
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.42
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(3-benzyl-7-bromo-5H-indeno[1,2-c]pyridin-1-yl)-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(3-benzyl-7-bromo-5H-indeno[1,2-c]pyridin-1-yl)-N,N,N'-trimethylpropane-1,3-diamine (CID 161470706) is N'-(3-benzyl-7-bromo-5H-indeno[1,2-c]pyridin-1-yl)-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-benzyl-7-bromo-5H-indeno[1,2-c]pyridin-1-yl)-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(3-benzyl-7-bromo-5H-indeno[1,2-c]pyridin-1-yl)-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)c1nc(Cc2ccccc2)cc2c1-c1ccc(Br)cc1C2.
What is the InChIKey of N'-(3-benzyl-7-bromo-5H-indeno[1,2-c]pyridin-1-yl)-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is WDARFHNOCBBVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28BrN3/c1-28(2)12-7-13-29(3)25-24-20(15-19-16-21(26)10-11-23(19)24)17-22(27-25)14-18-8-5-4-6-9-18/h4-6,8-11,16-17H,7,12-15H2,1-3H3.
What are the key properties of N'-(3-benzyl-7-bromo-5H-indeno[1,2-c]pyridin-1-yl)-N,N,N'-trimethylpropane-1,3-diamine?
N'-(3-benzyl-7-bromo-5H-indeno[1,2-c]pyridin-1-yl)-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 450.42 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-benzyl-7-bromo-5H-indeno[1,2-c]pyridin-1-yl)-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 161470706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).