4-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

C16H22N4O3 — CID 56719224

IUPAC4-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CN(C)Cc2noc(C3CCC3)n2)c1O
InChIInChI=1S/C16H22N4O3/c1-10-15(22)13(12(9-21)6-17-10)7-20(2)8-14-18-16(23-19-14)11-4-3-5-11/h6,11,21-22H,3-5,7-9H2,1-2H3
InChIKeyGDAKQECOGYMPJB-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.87
Rot. Bonds6

About 4-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 56719224) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID56719224
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name4-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CN(C)Cc2noc(C3CCC3)n2)c1O
InChIInChI=1S/C16H22N4O3/c1-10-15(22)13(12(9-21)6-17-10)7-20(2)8-14-18-16(23-19-14)11-4-3-5-11/h6,11,21-22H,3-5,7-9H2,1-2H3
InChIKeyGDAKQECOGYMPJB-UHFFFAOYSA-N
XLogP1.87
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol with MolForge

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Related Compounds

2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 50956884
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3-ethyl-1,2-oxazol-5-yl)-N-methylmethanamine
CID 91828772
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-pyridin-3-ylmethanamine
CID 75438087
1-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylmethanamine
CID 131937175
N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687751
4-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-N,5-dimethylpyrimidine-2,4-diamine
CID 72891962
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;ethanol
CID 68776255
2-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-[1-(4-methylphenyl)ethyl]acetamide
CID 91843306
N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-(1-prop-2-enylpyrazol-4-yl)methanamine
CID 77090912
5-(hydroxymethyl)-2-methyl-4-[[(5-methyl-1,2-oxazol-3-yl)methylamino]methyl]pyridin-3-ol
CID 115742672
ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
CID 62013173
methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
CID 62010684

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 56719224) is 4-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c(CN(C)Cc2noc(C3CCC3)n2)c1O.
What is the InChIKey of 4-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is GDAKQECOGYMPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10-15(22)13(12(9-21)6-17-10)7-20(2)8-14-18-16(23-19-14)11-4-3-5-11/h6,11,21-22H,3-5,7-9H2,1-2H3.
What are the key properties of 4-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 318.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 56719224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).