N-[[6-methyl-3-(1,2,4-oxadiazol-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine

C13H18N4O2 — CID 79151066

IUPACN-[[6-methyl-3-(1,2,4-oxadiazol-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(C)ccc1OCc1ncon1
InChIInChI=1S/C13H18N4O2/c1-3-6-14-7-11-12(5-4-10(2)16-11)18-8-13-15-9-19-17-13/h4-5,9,14H,3,6-8H2,1-2H3
InChIKeyVYARPYDUSXATGL-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.85
Rot. Bonds7

About N-[[6-methyl-3-(1,2,4-oxadiazol-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine

N-[[6-methyl-3-(1,2,4-oxadiazol-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine (PubChem CID 79151066) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[[6-methyl-3-(1,2,4-oxadiazol-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-methyl-3-(1,2,4-oxadiazol-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
PubChem CID79151066
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[[6-methyl-3-(1,2,4-oxadiazol-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine
SMILESCCCNCc1nc(C)ccc1OCc1ncon1
InChIInChI=1S/C13H18N4O2/c1-3-6-14-7-11-12(5-4-10(2)16-11)18-8-13-15-9-19-17-13/h4-5,9,14H,3,6-8H2,1-2H3
InChIKeyVYARPYDUSXATGL-UHFFFAOYSA-N
XLogP1.85
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[6-methyl-3-(1,2,4-oxadiazol-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine with MolForge

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Related Compounds

N-[[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79157744
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79157715
N-[[5-methoxy-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-1-amine
CID 60877966
N-[[3-(2-ethoxyethoxy)-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79150445
N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150680
2-methyl-1-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]propan-2-ol
CID 79150529
N-[[6-methyl-3-(pyrimidin-2-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150991
N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 79151149
ethyl 2-[[6-methyl-2-(propylaminomethyl)-3-pyridinyl]oxy]acetate
CID 79150917
N-[[6-methyl-3-[2-(trifluoromethoxy)ethoxy]-2-pyridinyl]methyl]propan-1-amine
CID 79151377
N-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150598
N-[[6-methyl-3-(2,2,2-trifluoroethoxymethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 106704703

Frequently Asked Questions

What is the IUPAC name of N-[[6-methyl-3-(1,2,4-oxadiazol-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine?
The IUPAC name of N-[[6-methyl-3-(1,2,4-oxadiazol-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine (CID 79151066) is N-[[6-methyl-3-(1,2,4-oxadiazol-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-methyl-3-(1,2,4-oxadiazol-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-methyl-3-(1,2,4-oxadiazol-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine is CCCNCc1nc(C)ccc1OCc1ncon1.
What is the InChIKey of N-[[6-methyl-3-(1,2,4-oxadiazol-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine?
The InChIKey is VYARPYDUSXATGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-6-14-7-11-12(5-4-10(2)16-11)18-8-13-15-9-19-17-13/h4-5,9,14H,3,6-8H2,1-2H3.
What are the key properties of N-[[6-methyl-3-(1,2,4-oxadiazol-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine?
N-[[6-methyl-3-(1,2,4-oxadiazol-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine has a molecular weight of 262.31 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-methyl-3-(1,2,4-oxadiazol-3-ylmethoxy)-2-pyridinyl]methyl]propan-1-amine is sourced from PubChem (CID 79151066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).