6-(2-methyl-1-oxo-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile

C20H20N4O — CID 131639669

IUPAC6-(2-methyl-1-oxo-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile
SMILESCN1CC(c2ccccc2)C2(CCN(c3ccc(C#N)cn3)C2)C1=O
InChIInChI=1S/C20H20N4O/c1-23-13-17(16-5-3-2-4-6-16)20(19(23)25)9-10-24(14-20)18-8-7-15(11-21)12-22-18/h2-8,12,17H,9-10,13-14H2,1H3
InChIKeyUJQZYCVKOWQBAN-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.41
Rot. Bonds2

About 6-(2-methyl-1-oxo-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile

6-(2-methyl-1-oxo-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile (PubChem CID 131639669) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-(2-methyl-1-oxo-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-methyl-1-oxo-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile
PubChem CID131639669
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name6-(2-methyl-1-oxo-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile
SMILESCN1CC(c2ccccc2)C2(CCN(c3ccc(C#N)cn3)C2)C1=O
InChIInChI=1S/C20H20N4O/c1-23-13-17(16-5-3-2-4-6-16)20(19(23)25)9-10-24(14-20)18-8-7-15(11-21)12-22-18/h2-8,12,17H,9-10,13-14H2,1H3
InChIKeyUJQZYCVKOWQBAN-UHFFFAOYSA-N
XLogP2.41
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-1-oxo-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(2-methyl-1-oxo-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile (CID 131639669) is 6-(2-methyl-1-oxo-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-methyl-1-oxo-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-methyl-1-oxo-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile is CN1CC(c2ccccc2)C2(CCN(c3ccc(C#N)cn3)C2)C1=O.
What is the InChIKey of 6-(2-methyl-1-oxo-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile?
The InChIKey is UJQZYCVKOWQBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-23-13-17(16-5-3-2-4-6-16)20(19(23)25)9-10-24(14-20)18-8-7-15(11-21)12-22-18/h2-8,12,17H,9-10,13-14H2,1H3.
What are the key properties of 6-(2-methyl-1-oxo-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile?
6-(2-methyl-1-oxo-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile has a molecular weight of 332.41 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-1-oxo-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 131639669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).