N-benzyl-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine

C25H25N5 — CID 102314096

IUPACN-benzyl-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
SMILESc1ccc(CNc2cccc(CN(Cc3ccccn3)Cc3ccccn3)n2)cc1
InChIInChI=1S/C25H25N5/c1-2-9-21(10-3-1)17-28-25-14-8-13-24(29-25)20-30(18-22-11-4-6-15-26-22)19-23-12-5-7-16-27-23/h1-16H,17-20H2,(H,28,29)
InChIKeyFAWXFRGATXKQJL-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.69
Rot. Bonds9

About N-benzyl-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine

N-benzyl-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine (PubChem CID 102314096) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-benzyl-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
PubChem CID102314096
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC NameN-benzyl-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
SMILESc1ccc(CNc2cccc(CN(Cc3ccccn3)Cc3ccccn3)n2)cc1
InChIInChI=1S/C25H25N5/c1-2-9-21(10-3-1)17-28-25-14-8-13-24(29-25)20-30(18-22-11-4-6-15-26-22)19-23-12-5-7-16-27-23/h1-16H,17-20H2,(H,28,29)
InChIKeyFAWXFRGATXKQJL-UHFFFAOYSA-N
XLogP4.69
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 91221880
1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 57459973
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 101191424
N-ethyl-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 79243794
1-[3-[[bis[(6-bromo-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 44598640
6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine
CID 44598597
N-(2,2-dimethylpropyl)-6-[[methyl(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 91090373
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-[[6-[[[6-(benzoylcarbamothioylamino)-2-pyridinyl]methyl-(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]carbamothioyl]benzamide
CID 102451576
4-N-benzyl-6-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112915471

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine?
The IUPAC name of N-benzyl-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine (CID 102314096) is N-benzyl-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for N-benzyl-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine?
The canonical SMILES for N-benzyl-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine is c1ccc(CNc2cccc(CN(Cc3ccccn3)Cc3ccccn3)n2)cc1.
What is the InChIKey of N-benzyl-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine?
The InChIKey is FAWXFRGATXKQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5/c1-2-9-21(10-3-1)17-28-25-14-8-13-24(29-25)20-30(18-22-11-4-6-15-26-22)19-23-12-5-7-16-27-23/h1-16H,17-20H2,(H,28,29).
What are the key properties of N-benzyl-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine?
N-benzyl-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine has a molecular weight of 395.51 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 102314096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).