N-methyl-1-[6-[[methyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine

C21H25N5 — CID 127045278

IUPACN-methyl-1-[6-[[methyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCN(Cc1ccc(CN(C)Cc2ccccn2)nc1)Cc1ccccn1
InChIInChI=1S/C21H25N5/c1-25(15-19-7-3-5-11-22-19)14-18-9-10-21(24-13-18)17-26(2)16-20-8-4-6-12-23-20/h3-13H,14-17H2,1-2H3
InChIKeyFISAYWFVZFSEFR-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.14
Rot. Bonds8

About N-methyl-1-[6-[[methyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine

N-methyl-1-[6-[[methyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 127045278) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-methyl-1-[6-[[methyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-[[methyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID127045278
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC NameN-methyl-1-[6-[[methyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESCN(Cc1ccc(CN(C)Cc2ccccn2)nc1)Cc1ccccn1
InChIInChI=1S/C21H25N5/c1-25(15-19-7-3-5-11-22-19)14-18-9-10-21(24-13-18)17-26(2)16-20-8-4-6-12-23-20/h3-13H,14-17H2,1-2H3
InChIKeyFISAYWFVZFSEFR-UHFFFAOYSA-N
XLogP3.14
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-[[methyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-methyl-1-[6-[[methyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine (CID 127045278) is N-methyl-1-[6-[[methyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-[6-[[methyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-methyl-1-[6-[[methyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine is CN(Cc1ccc(CN(C)Cc2ccccn2)nc1)Cc1ccccn1.
What is the InChIKey of N-methyl-1-[6-[[methyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is FISAYWFVZFSEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-25(15-19-7-3-5-11-22-19)14-18-9-10-21(24-13-18)17-26(2)16-20-8-4-6-12-23-20/h3-13H,14-17H2,1-2H3.
What are the key properties of N-methyl-1-[6-[[methyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine?
N-methyl-1-[6-[[methyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 347.47 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-[[methyl(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 127045278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).