[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine

C14H17N3O — CID 113320443

IUPAC[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine
SMILESNCc1ccc(OCCCc2ccncc2)cn1
InChIInChI=1S/C14H17N3O/c15-10-13-3-4-14(11-17-13)18-9-1-2-12-5-7-16-8-6-12/h3-8,11H,1-2,9-10,15H2
InChIKeyIDXAILKLLUWYQX-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.95
Rot. Bonds6

About [5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine

[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine (PubChem CID 113320443) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine
PubChem CID113320443
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine
SMILESNCc1ccc(OCCCc2ccncc2)cn1
InChIInChI=1S/C14H17N3O/c15-10-13-3-4-14(11-17-13)18-9-1-2-12-5-7-16-8-6-12/h3-8,11H,1-2,9-10,15H2
InChIKeyIDXAILKLLUWYQX-UHFFFAOYSA-N
XLogP1.95
TPSA61.03 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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine
CID 103937833
(5-butoxy-2-pyridinyl)methanamine
CID 79787452
[3-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 102814568
[2-chloro-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 62945709
[2-methyl-4-(3-pyridin-4-ylpropoxy)phenyl]methanamine
CID 81278633
4-[[6-(aminomethyl)-3-pyridinyl]oxy]butan-1-ol
CID 79776110
N-ethyl-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]ethanamine
CID 83109421
2-(5-butoxy-2-pyridinyl)ethanamine
CID 79799974
(5-hept-6-enoxy-2-pyridinyl)methanamine
CID 107006235
4-[2-(4-methylphenoxy)ethyl]pyridine
CID 64763978
2-(bromomethyl)-5-(pyridin-4-ylmethoxy)pyridine
CID 79799847
[5-(2-propoxyethoxy)-2-pyridinyl]methanamine
CID 115487193

Frequently Asked Questions

What is the IUPAC name of [5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine?
The IUPAC name of [5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine (CID 113320443) is [5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine.
What is the SMILES notation for [5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine?
The canonical SMILES for [5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine is NCc1ccc(OCCCc2ccncc2)cn1.
What is the InChIKey of [5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine?
The InChIKey is IDXAILKLLUWYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-10-13-3-4-14(11-17-13)18-9-1-2-12-5-7-16-8-6-12/h3-8,11H,1-2,9-10,15H2.
What are the key properties of [5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine?
[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanamine is sourced from PubChem (CID 113320443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).