6-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine

C11H14N4O2 — CID 63590936

IUPAC6-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
SMILESCCOc1cccc(NCc2nc(C)no2)n1
InChIInChI=1S/C11H14N4O2/c1-3-16-10-6-4-5-9(14-10)12-7-11-13-8(2)15-17-11/h4-6H,3,7H2,1-2H3,(H,12,14)
InChIKeyTXSPXPKJNMUFMX-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.78
Rot. Bonds5

About 6-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine

6-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine (PubChem CID 63590936) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
PubChem CID63590936
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name6-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
SMILESCCOc1cccc(NCc2nc(C)no2)n1
InChIInChI=1S/C11H14N4O2/c1-3-16-10-6-4-5-9(14-10)12-7-11-13-8(2)15-17-11/h4-6H,3,7H2,1-2H3,(H,12,14)
InChIKeyTXSPXPKJNMUFMX-UHFFFAOYSA-N
XLogP1.78
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 114186385
6-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 61015260
6-ethoxy-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine
CID 81177364
6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
CID 106403626
2-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-amine
CID 62784912
6-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 114186380
6-ethoxy-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 63590573
N-[[4-(chloromethyl)phenyl]methyl]-6-ethoxypyridin-2-amine
CID 107233084
N-[(3-amino-2-methylphenyl)methyl]-6-ethoxypyridin-2-amine
CID 103110789
2-ethoxy-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 87029742
N-(2-chloroethyl)-6-ethoxypyridin-2-amine
CID 65029665
5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 61311972

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine (CID 63590936) is 6-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine is CCOc1cccc(NCc2nc(C)no2)n1.
What is the InChIKey of 6-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine?
The InChIKey is TXSPXPKJNMUFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-3-16-10-6-4-5-9(14-10)12-7-11-13-8(2)15-17-11/h4-6H,3,7H2,1-2H3,(H,12,14).
What are the key properties of 6-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine?
6-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine has a molecular weight of 234.26 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 63590936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).