2-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile

C15H18N4O — CID 95189412

IUPAC2-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile
SMILESCN1CCC[C@]2(CCN(c3cc(C#N)ccn3)C2)C1=O
InChIInChI=1S/C15H18N4O/c1-18-7-2-4-15(14(18)20)5-8-19(11-15)13-9-12(10-16)3-6-17-13/h3,6,9H,2,4-5,7-8,11H2,1H3/t15-/m1/s1
InChIKeyJOIBGOZXOPHSNA-OAHLLOKOSA-N
MW270.34 g/mol
LogP1.40
Rot. Bonds1

About 2-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile

2-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile (PubChem CID 95189412) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile
PubChem CID95189412
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile
SMILESCN1CCC[C@]2(CCN(c3cc(C#N)ccn3)C2)C1=O
InChIInChI=1S/C15H18N4O/c1-18-7-2-4-15(14(18)20)5-8-19(11-15)13-9-12(10-16)3-6-17-13/h3,6,9H,2,4-5,7-8,11H2,1H3/t15-/m1/s1
InChIKeyJOIBGOZXOPHSNA-OAHLLOKOSA-N
XLogP1.40
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile (CID 95189412) is 2-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile is CN1CCC[C@]2(CCN(c3cc(C#N)ccn3)C2)C1=O.
What is the InChIKey of 2-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile?
The InChIKey is JOIBGOZXOPHSNA-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18N4O/c1-18-7-2-4-15(14(18)20)5-8-19(11-15)13-9-12(10-16)3-6-17-13/h3,6,9H,2,4-5,7-8,11H2,1H3/t15-/m1/s1.
What are the key properties of 2-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile?
2-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile has a molecular weight of 270.34 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 95189412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).