N-[[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine

C14H17N3O — CID 79775715

IUPACN-[[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2cccnc2)cn1
InChIInChI=1S/C14H17N3O/c1-2-15-9-13-5-6-14(10-17-13)18-11-12-4-3-7-16-8-12/h3-8,10,15H,2,9,11H2,1H3
InChIKeyJNLWDYXGDSJSLD-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.17
Rot. Bonds6

About N-[[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine

N-[[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine (PubChem CID 79775715) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
PubChem CID79775715
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(OCc2cccnc2)cn1
InChIInChI=1S/C14H17N3O/c1-2-15-9-13-5-6-14(10-17-13)18-11-12-4-3-7-16-8-12/h3-8,10,15H,2,9,11H2,1H3
InChIKeyJNLWDYXGDSJSLD-UHFFFAOYSA-N
XLogP2.17
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methanol
CID 79800019
N-[[5-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 105402630
N-[(5-ethoxy-2-pyridinyl)methyl]ethanamine
CID 79775704
N-[[5-(2-phenoxyethoxy)-2-pyridinyl]methyl]ethanamine
CID 79775994
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]propan-1-ol
CID 55189539
1-[4-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 43503736
N-[[5-(2-fluoroethoxy)-2-pyridinyl]methyl]ethanamine
CID 80700229
4-[[6-(ethylaminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776524
N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558300
N-[[5-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79783997
2-methoxy-N-[[5-(pyridin-4-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79794479

Frequently Asked Questions

What is the IUPAC name of N-[[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine (CID 79775715) is N-[[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine is CCNCc1ccc(OCc2cccnc2)cn1.
What is the InChIKey of N-[[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine?
The InChIKey is JNLWDYXGDSJSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-15-9-13-5-6-14(10-17-13)18-11-12-4-3-7-16-8-12/h3-8,10,15H,2,9,11H2,1H3.
What are the key properties of N-[[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine?
N-[[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine has a molecular weight of 243.31 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 79775715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).