4,6-dimethyl-2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile

C22H24N4O — CID 97190249

IUPAC4,6-dimethyl-2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)n1
InChIInChI=1S/C22H24N4O/c1-15-12-16(2)24-20(19(15)14-23)26-10-8-22(9-11-26)13-18(21(27)25-22)17-6-4-3-5-7-17/h3-7,12,18H,8-11,13H2,1-2H3,(H,25,27)/t18-/m0/s1
InChIKeyNPSXPTFYDDXPGG-SFHVURJKSA-N
MW360.46 g/mol
LogP3.21
Rot. Bonds2

About 4,6-dimethyl-2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile

4,6-dimethyl-2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile (PubChem CID 97190249) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4,6-dimethyl-2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile
PubChem CID97190249
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4,6-dimethyl-2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)n1
InChIInChI=1S/C22H24N4O/c1-15-12-16(2)24-20(19(15)14-23)26-10-8-22(9-11-26)13-18(21(27)25-22)17-6-4-3-5-7-17/h3-7,12,18H,8-11,13H2,1-2H3,(H,25,27)/t18-/m0/s1
InChIKeyNPSXPTFYDDXPGG-SFHVURJKSA-N
XLogP3.21
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile (CID 97190249) is 4,6-dimethyl-2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N3)n1.
What is the InChIKey of 4,6-dimethyl-2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile?
The InChIKey is NPSXPTFYDDXPGG-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15-12-16(2)24-20(19(15)14-23)26-10-8-22(9-11-26)13-18(21(27)25-22)17-6-4-3-5-7-17/h3-7,12,18H,8-11,13H2,1-2H3,(H,25,27)/t18-/m0/s1.
What are the key properties of 4,6-dimethyl-2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile?
4,6-dimethyl-2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile has a molecular weight of 360.46 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-[(3S)-2-oxo-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 97190249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).