6-[2-hydroxy-1-(2-methylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridine-3-carbonitrile

C15H20N4O — CID 178182942

IUPAC6-[2-hydroxy-1-(2-methylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridine-3-carbonitrile
SMILESCC(C)CC12CC(CN(c3ccc(C#N)cn3)C1O)N2
InChIInChI=1S/C15H20N4O/c1-10(2)5-15-6-12(18-15)9-19(14(15)20)13-4-3-11(7-16)8-17-13/h3-4,8,10,12,14,18,20H,5-6,9H2,1-2H3
InChIKeyKVKCDBSNUOWROG-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.24
Rot. Bonds3

About 6-[2-hydroxy-1-(2-methylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridine-3-carbonitrile

6-[2-hydroxy-1-(2-methylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridine-3-carbonitrile (PubChem CID 178182942) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-[2-hydroxy-1-(2-methylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-hydroxy-1-(2-methylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridine-3-carbonitrile
PubChem CID178182942
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name6-[2-hydroxy-1-(2-methylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridine-3-carbonitrile
SMILESCC(C)CC12CC(CN(c3ccc(C#N)cn3)C1O)N2
InChIInChI=1S/C15H20N4O/c1-10(2)5-15-6-12(18-15)9-19(14(15)20)13-4-3-11(7-16)8-17-13/h3-4,8,10,12,14,18,20H,5-6,9H2,1-2H3
InChIKeyKVKCDBSNUOWROG-UHFFFAOYSA-N
XLogP1.24
TPSA72.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[2-hydroxy-1-(2-methylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

6-(2,5-diazabicyclo[2.2.2]octan-2-yl)pyridine-3-carbonitrile;ethane;propane
CID 156724041
2-[1-(5-cyano-2-pyridinyl)azetidin-3-yl]propanoic acid
CID 116681902
6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carbonitrile
CID 102780806
6-(2,5-dimethylpiperazin-1-yl)pyridine-3-carbonitrile
CID 64983286
(2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 30078852
6-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 100838375
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
CID 62662719
6-(3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 112698394
6-[5-(3,3-difluorocyclobutanecarbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
CID 146080045
N-(5-cyano-2-pyridinyl)-4-methylpentanamide
CID 55209976
3-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]butanoic acid
CID 81046783

Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxy-1-(2-methylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-hydroxy-1-(2-methylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridine-3-carbonitrile (CID 178182942) is 6-[2-hydroxy-1-(2-methylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-hydroxy-1-(2-methylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-hydroxy-1-(2-methylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridine-3-carbonitrile is CC(C)CC12CC(CN(c3ccc(C#N)cn3)C1O)N2.
What is the InChIKey of 6-[2-hydroxy-1-(2-methylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridine-3-carbonitrile?
The InChIKey is KVKCDBSNUOWROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)5-15-6-12(18-15)9-19(14(15)20)13-4-3-11(7-16)8-17-13/h3-4,8,10,12,14,18,20H,5-6,9H2,1-2H3.
What are the key properties of 6-[2-hydroxy-1-(2-methylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridine-3-carbonitrile?
6-[2-hydroxy-1-(2-methylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridine-3-carbonitrile has a molecular weight of 272.35 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxy-1-(2-methylpropyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 178182942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).