2-[4-hydroxy-2-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile

C24H28N4O — CID 176507014

IUPAC2-[4-hydroxy-2-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC3(CC2)CC(O)CN(C/C=C/c2ccccc2)C3)c1
InChIInChI=1S/C24H28N4O/c25-17-21-8-11-26-23(15-21)28-13-9-24(10-14-28)16-22(29)18-27(19-24)12-4-7-20-5-2-1-3-6-20/h1-8,11,15,22,29H,9-10,12-14,16,18-19H2/b7-4+
InChIKeyDMECAPIEIAIZKG-QPJJXVBHSA-N
MW388.52 g/mol
LogP3.32
Rot. Bonds4

About 2-[4-hydroxy-2-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile

2-[4-hydroxy-2-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile (PubChem CID 176507014) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is 2-[4-hydroxy-2-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-hydroxy-2-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
PubChem CID176507014
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name2-[4-hydroxy-2-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCC3(CC2)CC(O)CN(C/C=C/c2ccccc2)C3)c1
InChIInChI=1S/C24H28N4O/c25-17-21-8-11-26-23(15-21)28-13-9-24(10-14-28)16-22(29)18-27(19-24)12-4-7-20-5-2-1-3-6-20/h1-8,11,15,22,29H,9-10,12-14,16,18-19H2/b7-4+
InChIKeyDMECAPIEIAIZKG-QPJJXVBHSA-N
XLogP3.32
TPSA63.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
CID 97186777
9-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-4-ol
CID 176506461
2-[(2R,4S)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
CID 154570300
2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile
CID 63282526
2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile
CID 55159492
1-(4-cyano-2-pyridinyl)-4-ethylpiperidine-4-carboxylic acid
CID 63125819
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573
(3S,4S)-1-[(E)-3-phenylprop-2-enyl]-4-(4-pyridin-2-ylpiperazin-1-yl)pyrrolidin-3-ol
CID 45246395
8-(2-methylpyrimidin-4-yl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72843442
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 43521668
2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
CID 154564780
(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981598

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-2-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-hydroxy-2-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile (CID 176507014) is 2-[4-hydroxy-2-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-hydroxy-2-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-hydroxy-2-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCC3(CC2)CC(O)CN(C/C=C/c2ccccc2)C3)c1.
What is the InChIKey of 2-[4-hydroxy-2-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile?
The InChIKey is DMECAPIEIAIZKG-QPJJXVBHSA-N. The full InChI is InChI=1S/C24H28N4O/c25-17-21-8-11-26-23(15-21)28-13-9-24(10-14-28)16-22(29)18-27(19-24)12-4-7-20-5-2-1-3-6-20/h1-8,11,15,22,29H,9-10,12-14,16,18-19H2/b7-4+.
What are the key properties of 2-[4-hydroxy-2-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile?
2-[4-hydroxy-2-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile has a molecular weight of 388.52 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-2-[(E)-3-phenylprop-2-enyl]-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 176507014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).