2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile

C24H26N4O — CID 97445413

IUPAC2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2
InChIInChI=1S/C24H26N4O/c25-16-19-7-4-12-26-22(19)27-13-10-24(11-14-27)15-21(18-5-2-1-3-6-18)23(29)28(17-24)20-8-9-20/h1-7,12,20-21H,8-11,13-15,17H2/t21-/m1/s1
InChIKeyXZLFZKOSFNTSGZ-OAQYLSRUSA-N
MW386.50 g/mol
LogP3.72
Rot. Bonds3

About 2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile

2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile (PubChem CID 97445413) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile
PubChem CID97445413
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2
InChIInChI=1S/C24H26N4O/c25-16-19-7-4-12-26-22(19)27-13-10-24(11-14-27)15-21(18-5-2-1-3-6-18)23(29)28(17-24)20-8-9-20/h1-7,12,20-21H,8-11,13-15,17H2/t21-/m1/s1
InChIKeyXZLFZKOSFNTSGZ-OAQYLSRUSA-N
XLogP3.72
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile (CID 97445413) is 2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N(C1CC1)C2.
What is the InChIKey of 2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile?
The InChIKey is XZLFZKOSFNTSGZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26N4O/c25-16-19-7-4-12-26-22(19)27-13-10-24(11-14-27)15-21(18-5-2-1-3-6-18)23(29)28(17-24)20-8-9-20/h1-7,12,20-21H,8-11,13-15,17H2/t21-/m1/s1.
What are the key properties of 2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile?
2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile has a molecular weight of 386.50 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 97445413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).