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

C17H22N6O — CID 70785095

IUPACN-[(3-ethylimidazol-4-yl)methyl]-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCCn1cncc1CNc1ccc(-c2nc(CC(C)C)no2)cn1
InChIInChI=1S/C17H22N6O/c1-4-23-11-18-9-14(23)10-20-15-6-5-13(8-19-15)17-21-16(22-24-17)7-12(2)3/h5-6,8-9,11-12H,4,7,10H2,1-3H3,(H,19,20)
InChIKeyISBJLDMWIUOYEO-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.16
Rot. Bonds7

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

N-[(3-ethylimidazol-4-yl)methyl]-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 70785095) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(3-ethylimidazol-4-yl)methyl]-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3-ethylimidazol-4-yl)methyl]-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID70785095
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC NameN-[(3-ethylimidazol-4-yl)methyl]-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESCCn1cncc1CNc1ccc(-c2nc(CC(C)C)no2)cn1
InChIInChI=1S/C17H22N6O/c1-4-23-11-18-9-14(23)10-20-15-6-5-13(8-19-15)17-21-16(22-24-17)7-12(2)3/h5-6,8-9,11-12H,4,7,10H2,1-3H3,(H,19,20)
InChIKeyISBJLDMWIUOYEO-UHFFFAOYSA-N
XLogP3.16
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of N-[(3-ethylimidazol-4-yl)methyl]-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 70785095) is N-[(3-ethylimidazol-4-yl)methyl]-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for N-[(3-ethylimidazol-4-yl)methyl]-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for N-[(3-ethylimidazol-4-yl)methyl]-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is CCn1cncc1CNc1ccc(-c2nc(CC(C)C)no2)cn1.
What is the InChIKey of N-[(3-ethylimidazol-4-yl)methyl]-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is ISBJLDMWIUOYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-4-23-11-18-9-14(23)10-20-15-6-5-13(8-19-15)17-21-16(22-24-17)7-12(2)3/h5-6,8-9,11-12H,4,7,10H2,1-3H3,(H,19,20).
What are the key properties of N-[(3-ethylimidazol-4-yl)methyl]-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
N-[(3-ethylimidazol-4-yl)methyl]-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 326.40 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylimidazol-4-yl)methyl]-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 70785095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).