6-[(4S)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile

C24H26N4O — CID 97456289

IUPAC6-[(4S)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C2CC2)C3)nc1
InChIInChI=1S/C24H26N4O/c25-15-18-6-9-22(26-16-18)27-12-10-24(11-13-27)14-21(19-4-2-1-3-5-19)23(29)28(17-24)20-7-8-20/h1-6,9,16,20-21H,7-8,10-14,17H2/t21-/m0/s1
InChIKeySKEZIESZUCYYHK-NRFANRHFSA-N
MW386.50 g/mol
LogP3.72
Rot. Bonds3

About 6-[(4S)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile

6-[(4S)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile (PubChem CID 97456289) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 6-[(4S)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4S)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile
PubChem CID97456289
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name6-[(4S)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C2CC2)C3)nc1
InChIInChI=1S/C24H26N4O/c25-15-18-6-9-22(26-16-18)27-12-10-24(11-13-27)14-21(19-4-2-1-3-5-19)23(29)28(17-24)20-7-8-20/h1-6,9,16,20-21H,7-8,10-14,17H2/t21-/m0/s1
InChIKeySKEZIESZUCYYHK-NRFANRHFSA-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 6-[(4S)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(4S)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile (CID 97456289) is 6-[(4S)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(4S)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(4S)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC3(CC2)C[C@@H](c2ccccc2)C(=O)N(C2CC2)C3)nc1.
What is the InChIKey of 6-[(4S)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile?
The InChIKey is SKEZIESZUCYYHK-NRFANRHFSA-N. The full InChI is InChI=1S/C24H26N4O/c25-15-18-6-9-22(26-16-18)27-12-10-24(11-13-27)14-21(19-4-2-1-3-5-19)23(29)28(17-24)20-7-8-20/h1-6,9,16,20-21H,7-8,10-14,17H2/t21-/m0/s1.
What are the key properties of 6-[(4S)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile?
6-[(4S)-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 6-[(4S)-2-cyclopropyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 97456289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).