2-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]-6-methylpyridin-3-ol

C17H25N5O2 — CID 95299359

IUPAC2-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]-6-methylpyridin-3-ol
SMILESCCc1nc(CN2CCC[C@@H](NCc3nc(C)ccc3O)C2)no1
InChIInChI=1S/C17H25N5O2/c1-3-17-20-16(21-24-17)11-22-8-4-5-13(10-22)18-9-14-15(23)7-6-12(2)19-14/h6-7,13,18,23H,3-5,8-11H2,1-2H3/t13-/m1/s1
InChIKeyXZJVFKBODLWHII-CYBMUJFWSA-N
MW331.42 g/mol
LogP1.80
Rot. Bonds6

About 2-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]-6-methylpyridin-3-ol

2-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]-6-methylpyridin-3-ol (PubChem CID 95299359) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]-6-methylpyridin-3-ol
PubChem CID95299359
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name2-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]-6-methylpyridin-3-ol
SMILESCCc1nc(CN2CCC[C@@H](NCc3nc(C)ccc3O)C2)no1
InChIInChI=1S/C17H25N5O2/c1-3-17-20-16(21-24-17)11-22-8-4-5-13(10-22)18-9-14-15(23)7-6-12(2)19-14/h6-7,13,18,23H,3-5,8-11H2,1-2H3/t13-/m1/s1
InChIKeyXZJVFKBODLWHII-CYBMUJFWSA-N
XLogP1.80
TPSA87.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]-6-methylpyridin-3-ol with MolForge

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Related Compounds

(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1,3-thiazol-4-ylmethyl)piperidin-3-amine
CID 95339980
1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918906
3-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzamide
CID 95614068
2-[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]-N-pyridin-4-ylacetamide
CID 95334722
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(Z)-3-phenylprop-2-enyl]piperidin-3-amine
CID 98511917
(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-ol
CID 107225702
2-[(cyclobutylamino)methyl]-6-methylpyridin-3-ol
CID 78950424
N-[(3S)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 95286708
N-[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]quinazolin-4-amine
CID 95289671
6-methyl-2-[[(1-methylpiperidin-4-yl)amino]methyl]pyridin-3-ol
CID 79025943
2-[[(4-hydroxycyclohexyl)amino]methyl]-6-methylpyridin-3-ol
CID 78928626
2-[(3-ethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82977177

Frequently Asked Questions

What is the IUPAC name of 2-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]-6-methylpyridin-3-ol (CID 95299359) is 2-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]-6-methylpyridin-3-ol is CCc1nc(CN2CCC[C@@H](NCc3nc(C)ccc3O)C2)no1.
What is the InChIKey of 2-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]-6-methylpyridin-3-ol?
The InChIKey is XZJVFKBODLWHII-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-3-17-20-16(21-24-17)11-22-8-4-5-13(10-22)18-9-14-15(23)7-6-12(2)19-14/h6-7,13,18,23H,3-5,8-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]-6-methylpyridin-3-ol?
2-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]-6-methylpyridin-3-ol has a molecular weight of 331.42 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 95299359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).