2-[5-[2-[bis(pyridin-2-ylmethyl)amino]ethoxy]naphthalen-1-yl]oxy-N,N-bis(pyridin-2-ylmethyl)ethanamine

C38H38N6O2 — CID 102131469

IUPAC2-[5-[2-[bis(pyridin-2-ylmethyl)amino]ethoxy]naphthalen-1-yl]oxy-N,N-bis(pyridin-2-ylmethyl)ethanamine
SMILESc1ccc(CN(CCOc2cccc3c(OCCN(Cc4ccccn4)Cc4ccccn4)cccc23)Cc2ccccn2)nc1
InChIInChI=1S/C38H38N6O2/c1-5-19-39-31(11-1)27-43(28-32-12-2-6-20-40-32)23-25-45-37-17-9-16-36-35(37)15-10-18-38(36)46-26-24-44(29-33-13-3-7-21-41-33)30-34-14-4-8-22-42-34/h1-22H,23-30H2
InChIKeyFGGWAPQPTOMOAA-UHFFFAOYSA-N
MW610.76 g/mol
LogP6.58
Rot. Bonds16

About 2-[5-[2-[bis(pyridin-2-ylmethyl)amino]ethoxy]naphthalen-1-yl]oxy-N,N-bis(pyridin-2-ylmethyl)ethanamine

2-[5-[2-[bis(pyridin-2-ylmethyl)amino]ethoxy]naphthalen-1-yl]oxy-N,N-bis(pyridin-2-ylmethyl)ethanamine (PubChem CID 102131469) has the molecular formula C38H38N6O2 and a molecular weight of 610.76 g/mol. Its IUPAC name is 2-[5-[2-[bis(pyridin-2-ylmethyl)amino]ethoxy]naphthalen-1-yl]oxy-N,N-bis(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[5-[2-[bis(pyridin-2-ylmethyl)amino]ethoxy]naphthalen-1-yl]oxy-N,N-bis(pyridin-2-ylmethyl)ethanamine
PubChem CID102131469
Molecular FormulaC38H38N6O2
Molecular Weight610.76 g/mol
Exact Mass610.31
IUPAC Name2-[5-[2-[bis(pyridin-2-ylmethyl)amino]ethoxy]naphthalen-1-yl]oxy-N,N-bis(pyridin-2-ylmethyl)ethanamine
SMILESc1ccc(CN(CCOc2cccc3c(OCCN(Cc4ccccn4)Cc4ccccn4)cccc23)Cc2ccccn2)nc1
InChIInChI=1S/C38H38N6O2/c1-5-19-39-31(11-1)27-43(28-32-12-2-6-20-40-32)23-25-45-37-17-9-16-36-35(37)15-10-18-38(36)46-26-24-44(29-33-13-3-7-21-41-33)30-34-14-4-8-22-42-34/h1-22H,23-30H2
InChIKeyFGGWAPQPTOMOAA-UHFFFAOYSA-N
XLogP6.58
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.76
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[5-[2-[bis(pyridin-2-ylmethyl)amino]ethoxy]naphthalen-1-yl]oxy-N,N-bis(pyridin-2-ylmethyl)ethanamine with MolForge

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Related Compounds

copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
5-(pyridin-2-ylmethoxy)naphthalen-1-amine
CID 82037861
2-phenylsulfanyl-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 140747992
N-benzyl-N,N',N'-tris(pyridin-2-ylmethyl)propane-1,3-diamine
CID 101205113
1-[2-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 54154120
N'-[2-[2-aminoethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 141183733
2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]benzonitrile
CID 43564981
1-[2-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxy]phenyl]ethanone
CID 62050829
N',N'-bis[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;N,N-dimethyl-N',N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 158625319
N-prop-2-ynyl-N,N',N'-tris(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 102448353
2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline
CID 43564653
2-[3-[bis(pyridin-2-ylmethyl)amino]propoxy]acetic acid
CID 101459519

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-[bis(pyridin-2-ylmethyl)amino]ethoxy]naphthalen-1-yl]oxy-N,N-bis(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-[5-[2-[bis(pyridin-2-ylmethyl)amino]ethoxy]naphthalen-1-yl]oxy-N,N-bis(pyridin-2-ylmethyl)ethanamine (CID 102131469) is 2-[5-[2-[bis(pyridin-2-ylmethyl)amino]ethoxy]naphthalen-1-yl]oxy-N,N-bis(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-[5-[2-[bis(pyridin-2-ylmethyl)amino]ethoxy]naphthalen-1-yl]oxy-N,N-bis(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-[5-[2-[bis(pyridin-2-ylmethyl)amino]ethoxy]naphthalen-1-yl]oxy-N,N-bis(pyridin-2-ylmethyl)ethanamine is c1ccc(CN(CCOc2cccc3c(OCCN(Cc4ccccn4)Cc4ccccn4)cccc23)Cc2ccccn2)nc1.
What is the InChIKey of 2-[5-[2-[bis(pyridin-2-ylmethyl)amino]ethoxy]naphthalen-1-yl]oxy-N,N-bis(pyridin-2-ylmethyl)ethanamine?
The InChIKey is FGGWAPQPTOMOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38N6O2/c1-5-19-39-31(11-1)27-43(28-32-12-2-6-20-40-32)23-25-45-37-17-9-16-36-35(37)15-10-18-38(36)46-26-24-44(29-33-13-3-7-21-41-33)30-34-14-4-8-22-42-34/h1-22H,23-30H2.
What are the key properties of 2-[5-[2-[bis(pyridin-2-ylmethyl)amino]ethoxy]naphthalen-1-yl]oxy-N,N-bis(pyridin-2-ylmethyl)ethanamine?
2-[5-[2-[bis(pyridin-2-ylmethyl)amino]ethoxy]naphthalen-1-yl]oxy-N,N-bis(pyridin-2-ylmethyl)ethanamine has a molecular weight of 610.76 g/mol, XLogP of 6.58, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-[bis(pyridin-2-ylmethyl)amino]ethoxy]naphthalen-1-yl]oxy-N,N-bis(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 102131469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).