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

C21H25N5 — CID 127045279

IUPACN-methyl-N-[[6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-3-pyridinyl]methyl]-1-pyridin-3-ylmethanamine
SMILESCN(Cc1cccnc1)Cc1ccc(CN(C)Cc2cccnc2)nc1
InChIInChI=1S/C21H25N5/c1-25(14-18-5-3-9-22-11-18)16-20-7-8-21(24-13-20)17-26(2)15-19-6-4-10-23-12-19/h3-13H,14-17H2,1-2H3
InChIKeyQOLHOWNZMAFOKP-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.14
Rot. Bonds8

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

N-methyl-N-[[6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-3-pyridinyl]methyl]-1-pyridin-3-ylmethanamine (PubChem CID 127045279) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-methyl-N-[[6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-3-pyridinyl]methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[[6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-3-pyridinyl]methyl]-1-pyridin-3-ylmethanamine
PubChem CID127045279
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC NameN-methyl-N-[[6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-3-pyridinyl]methyl]-1-pyridin-3-ylmethanamine
SMILESCN(Cc1cccnc1)Cc1ccc(CN(C)Cc2cccnc2)nc1
InChIInChI=1S/C21H25N5/c1-25(14-18-5-3-9-22-11-18)16-20-7-8-21(24-13-20)17-26(2)15-19-6-4-10-23-12-19/h3-13H,14-17H2,1-2H3
InChIKeyQOLHOWNZMAFOKP-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-N-[[6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-3-pyridinyl]methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-methyl-N-[[6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-3-pyridinyl]methyl]-1-pyridin-3-ylmethanamine (CID 127045279) is N-methyl-N-[[6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-3-pyridinyl]methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-methyl-N-[[6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-3-pyridinyl]methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-methyl-N-[[6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-3-pyridinyl]methyl]-1-pyridin-3-ylmethanamine is CN(Cc1cccnc1)Cc1ccc(CN(C)Cc2cccnc2)nc1.
What is the InChIKey of N-methyl-N-[[6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-3-pyridinyl]methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is QOLHOWNZMAFOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-25(14-18-5-3-9-22-11-18)16-20-7-8-21(24-13-20)17-26(2)15-19-6-4-10-23-12-19/h3-13H,14-17H2,1-2H3.
What are the key properties of N-methyl-N-[[6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-3-pyridinyl]methyl]-1-pyridin-3-ylmethanamine?
N-methyl-N-[[6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-3-pyridinyl]methyl]-1-pyridin-3-ylmethanamine 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-N-[[6-[[methyl(pyridin-3-ylmethyl)amino]methyl]-3-pyridinyl]methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 127045279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).