N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine

C13H18N4O3 — CID 106415901

IUPACN-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCOc1ccnc(CNCCc2noc(C)n2)c1OC
InChIInChI=1S/C13H18N4O3/c1-9-16-12(17-20-9)5-6-14-8-10-13(19-3)11(18-2)4-7-15-10/h4,7,14H,5-6,8H2,1-3H3
InChIKeyBGLWIKGNWOCYJL-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.12
Rot. Bonds7

About N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine

N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 106415901) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID106415901
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
SMILESCOc1ccnc(CNCCc2noc(C)n2)c1OC
InChIInChI=1S/C13H18N4O3/c1-9-16-12(17-20-9)5-6-14-8-10-13(19-3)11(18-2)4-7-15-10/h4,7,14H,5-6,8H2,1-3H3
InChIKeyBGLWIKGNWOCYJL-UHFFFAOYSA-N
XLogP1.12
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,4-dimethoxy-2-pyridinyl)methylamino]propan-1-ol
CID 103172250
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 106415872
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106045547
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(4-methylphenyl)methanamine
CID 103172192
1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
1-(3,4-dimethoxy-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106371845
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylprop-2-en-1-amine
CID 103172790
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-(furan-3-yl)methanamine
CID 103172772
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-phenylsulfanylethanamine
CID 103172287
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-(2-methoxyethoxy)butan-1-amine
CID 103172731
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 106413859
1-(2,5-difluorophenyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]methanamine
CID 103172479

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine (CID 106415901) is N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine is COc1ccnc(CNCCc2noc(C)n2)c1OC.
What is the InChIKey of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is BGLWIKGNWOCYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-9-16-12(17-20-9)5-6-14-8-10-13(19-3)11(18-2)4-7-15-10/h4,7,14H,5-6,8H2,1-3H3.
What are the key properties of N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine?
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 278.31 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 106415901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).