3-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]-N-methylpyridin-2-amine

C14H21N5O2 — CID 46982386

IUPAC3-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]-N-methylpyridin-2-amine
SMILESCCN(Cc1nc(COC)no1)Cc1cccnc1NC
InChIInChI=1S/C14H21N5O2/c1-4-19(8-11-6-5-7-16-14(11)15-2)9-13-17-12(10-20-3)18-21-13/h5-7H,4,8-10H2,1-3H3,(H,15,16)
InChIKeyHWEWXNORPIOTEO-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.67
Rot. Bonds8

About 3-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]-N-methylpyridin-2-amine

3-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]-N-methylpyridin-2-amine (PubChem CID 46982386) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 3-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]-N-methylpyridin-2-amine
PubChem CID46982386
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name3-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]-N-methylpyridin-2-amine
SMILESCCN(Cc1nc(COC)no1)Cc1cccnc1NC
InChIInChI=1S/C14H21N5O2/c1-4-19(8-11-6-5-7-16-14(11)15-2)9-13-17-12(10-20-3)18-21-13/h5-7H,4,8-10H2,1-3H3,(H,15,16)
InChIKeyHWEWXNORPIOTEO-UHFFFAOYSA-N
XLogP1.67
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]-N-methylpyridin-2-amine (CID 46982386) is 3-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]-N-methylpyridin-2-amine is CCN(Cc1nc(COC)no1)Cc1cccnc1NC.
What is the InChIKey of 3-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]-N-methylpyridin-2-amine?
The InChIKey is HWEWXNORPIOTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-4-19(8-11-6-5-7-16-14(11)15-2)9-13-17-12(10-20-3)18-21-13/h5-7H,4,8-10H2,1-3H3,(H,15,16).
What are the key properties of 3-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]-N-methylpyridin-2-amine?
3-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]-N-methylpyridin-2-amine has a molecular weight of 291.36 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 46982386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).