N-[(5-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine

C11H14N4O — CID 103768738

IUPACN-[(5-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1ccc(CNCCc2ncno2)nc1
InChIInChI=1S/C11H14N4O/c1-9-2-3-10(13-6-9)7-12-5-4-11-14-8-15-16-11/h2-3,6,8,12H,4-5,7H2,1H3
InChIKeyJEDTZLCKXNPKNX-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.11
Rot. Bonds5

About N-[(5-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine

N-[(5-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 103768738) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[(5-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID103768738
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-[(5-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1ccc(CNCCc2ncno2)nc1
InChIInChI=1S/C11H14N4O/c1-9-2-3-10(13-6-9)7-12-5-4-11-14-8-15-16-11/h2-3,6,8,12H,4-5,7H2,1H3
InChIKeyJEDTZLCKXNPKNX-UHFFFAOYSA-N
XLogP1.11
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,2,4-oxadiazol-5-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 106395144
N-[(5-methyl-2-pyridinyl)methyl]butan-1-amine
CID 80708848
N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106400351
N-[(8-methoxyquinolin-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106395260
N'-[(5-methyl-2-pyridinyl)methyl]butane-1,4-diamine
CID 81313009
3-[(5-methyl-2-pyridinyl)methylamino]propanenitrile
CID 81311804
N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine
CID 80708681
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106399630
N-[(1-methylpyrrol-3-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 103872079
N-[(5-methyl-2-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 80708302
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile
CID 106399744
4,4-dimethyl-N-[(5-methyl-2-pyridinyl)methyl]pentan-1-amine
CID 115698997

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[(5-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (CID 103768738) is N-[(5-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(5-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[(5-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is Cc1ccc(CNCCc2ncno2)nc1.
What is the InChIKey of N-[(5-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is JEDTZLCKXNPKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-9-2-3-10(13-6-9)7-12-5-4-11-14-8-15-16-11/h2-3,6,8,12H,4-5,7H2,1H3.
What are the key properties of N-[(5-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
N-[(5-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 218.26 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-pyridinyl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 103768738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).