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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Related Compounds

6-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile
CID 97456290
6-[(4S)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile
CID 97456289
6-(2-tert-butyl-2,7-diazaspiro[4.4]nonan-7-yl)pyridine-3-carbonitrile;formic acid
CID 169220277
6-(7-acetyl-2,7-diazaspiro[3.5]nonan-2-yl)pyridine-3-carbonitrile
CID 155770067
6-[(3aS,6aR)-4-oxo-5-phenyl-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carbonitrile
CID 124784298
6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile
CID 133379476
6-(4-benzyl-3-ethyl-5-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile
CID 56880544
6-[2-(2-methoxyethyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyridine-3-carbonitrile
CID 134075055
6-[4-(3-phenylcyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 56820268
6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridine-3-carbonitrile
CID 126891739
(2R)-4-(5-cyano-2-pyridinyl)-2-methylpiperazine-1-carboxylic acid
CID 175401707
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276

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).