N-[[6-[6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1,1-dipyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine

C47H42N10 — CID 148871584

IUPACN-[[6-[6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1,1-dipyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
SMILESCC(c1ccccn1)(c1ccccn1)N(Cc1ccccn1)Cc1cccc(-c2cccc(CN(Cc3ccccn3)C(c3ccccn3)c3ccccn3)n2)n1
InChIInChI=1S/C47H42N10/c1-47(44-24-6-12-30-52-44,45-25-7-13-31-53-45)57(34-37-17-3-9-27-49-37)35-39-19-15-23-41(55-39)40-22-14-18-38(54-40)33-56(32-36-16-2-8-26-48-36)46(42-20-4-10-28-50-42)43-21-5-11-29-51-43/h2-31,46H,32-35H2,1H3
InChIKeyPBGZJXYAHHHGBJ-UHFFFAOYSA-N
MW746.92 g/mol
LogP8.27
Rot. Bonds15

About N-[[6-[6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1,1-dipyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine

N-[[6-[6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1,1-dipyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 148871584) has the molecular formula C47H42N10 and a molecular weight of 746.92 g/mol. Its IUPAC name is N-[[6-[6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1,1-dipyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[6-[6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1,1-dipyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID148871584
Molecular FormulaC47H42N10
Molecular Weight746.92 g/mol
Exact Mass746.36
IUPAC NameN-[[6-[6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1,1-dipyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
SMILESCC(c1ccccn1)(c1ccccn1)N(Cc1ccccn1)Cc1cccc(-c2cccc(CN(Cc3ccccn3)C(c3ccccn3)c3ccccn3)n2)n1
InChIInChI=1S/C47H42N10/c1-47(44-24-6-12-30-52-44,45-25-7-13-31-53-45)57(34-37-17-3-9-27-49-37)35-39-19-15-23-41(55-39)40-22-14-18-38(54-40)33-56(32-36-16-2-8-26-48-36)46(42-20-4-10-28-50-42)43-21-5-11-29-51-43/h2-31,46H,32-35H2,1H3
InChIKeyPBGZJXYAHHHGBJ-UHFFFAOYSA-N
XLogP8.27
TPSA109.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.92
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-[[6-[6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1,1-dipyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine with MolForge

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Related Compounds

N,N-bis[(6-methoxy-2-pyridinyl)methyl]-1,1-dipyridin-2-ylmethanamine
CID 101246134
cobalt;1-[6-(1,1-dipyridin-2-ylethyl)-2-pyridinyl]-N-methyl-N-(pyridin-2-ylmethyl)methanamine;hydrate
CID 177277218
N-[[6-[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 91221880
N,N'-bis[(1S)-1-pyridin-2-ylethyl]-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 101339503
1-[bis(pyridin-2-ylmethyl)amino]-3-[(6-tert-butyl-2-pyridinyl)methyl-(pyridin-2-ylmethyl)amino]propan-2-ol
CID 138529927
tert-butyl 2-[[6-[6-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]acetate
CID 23248044
1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 57459973
1,1-dipyridin-2-yl-2-pyridin-4-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 22138659
6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine
CID 44598597
N,N-bis(1H-imidazol-2-ylmethyl)-1,1-dipyridin-2-ylethanamine
CID 22138631
1-phenyl-2,2-dipyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 70142238
N-(2,2-dimethylpropyl)-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 91090373

Frequently Asked Questions

What is the IUPAC name of N-[[6-[6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1,1-dipyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of N-[[6-[6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1,1-dipyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine (CID 148871584) is N-[[6-[6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1,1-dipyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[[6-[6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1,1-dipyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[[6-[6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1,1-dipyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine is CC(c1ccccn1)(c1ccccn1)N(Cc1ccccn1)Cc1cccc(-c2cccc(CN(Cc3ccccn3)C(c3ccccn3)c3ccccn3)n2)n1.
What is the InChIKey of N-[[6-[6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1,1-dipyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is PBGZJXYAHHHGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H42N10/c1-47(44-24-6-12-30-52-44,45-25-7-13-31-53-45)57(34-37-17-3-9-27-49-37)35-39-19-15-23-41(55-39)40-22-14-18-38(54-40)33-56(32-36-16-2-8-26-48-36)46(42-20-4-10-28-50-42)43-21-5-11-29-51-43/h2-31,46H,32-35H2,1H3.
What are the key properties of N-[[6-[6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1,1-dipyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine?
N-[[6-[6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1,1-dipyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 746.92 g/mol, XLogP of 8.27, 15 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[6-[[dipyridin-2-ylmethyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1,1-dipyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 148871584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).