2-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile

C20H26N4O — CID 97155948

IUPAC2-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)c1
InChIInChI=1S/C20H26N4O/c21-14-16-7-10-22-18(13-16)23-12-9-20(15-23)8-4-11-24(19(20)25)17-5-2-1-3-6-17/h7,10,13,17H,1-6,8-9,11-12,15H2/t20-/m0/s1
InChIKeyHOSCKFRFNRLYKH-FQEVSTJZSA-N
MW338.46 g/mol
LogP3.10
Rot. Bonds2

About 2-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile

2-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile (PubChem CID 97155948) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile
PubChem CID97155948
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)c1
InChIInChI=1S/C20H26N4O/c21-14-16-7-10-22-18(13-16)23-12-9-20(15-23)8-4-11-24(19(20)25)17-5-2-1-3-6-17/h7,10,13,17H,1-6,8-9,11-12,15H2/t20-/m0/s1
InChIKeyHOSCKFRFNRLYKH-FQEVSTJZSA-N
XLogP3.10
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile with MolForge

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Related Compounds

2-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile
CID 95189412
(5S)-7-cyclohexyl-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97131419
(5R)-7-cyclopentyl-2-(5-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97147036
7-cyclopentyl-2-pyridazin-3-yl-2,7-diazaspiro[4.5]decan-6-one
CID 86283608
2-cyclohexyl-9-(5-methyl-2-pyridinyl)-2,9-diazaspiro[4.5]decan-1-one
CID 143229463
3-fluoro-4-[2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]benzonitrile
CID 11667853
6-(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)pyridine-2-carboxylic acid
CID 72854969
2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile
CID 61242795
(5R)-2-(oxan-4-yl)-9-pyridin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 173174985
2-(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)pyridine-4-carbonitrile
CID 163314786
2-[4-[(2R)-2-methylazetidin-1-yl]spiro[6H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclobutane]-7-yl]pyridine-4-carbonitrile
CID 178052650
(5R)-9-[3-chloro-5-[(2R)-2-hydroxypyrrolidin-1-yl]-2-pyridinyl]-2-cyclohexyl-2,9-diazaspiro[4.5]decan-1-one
CID 141301008

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile (CID 97155948) is 2-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CC[C@@]3(CCCN(C4CCCCC4)C3=O)C2)c1.
What is the InChIKey of 2-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile?
The InChIKey is HOSCKFRFNRLYKH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26N4O/c21-14-16-7-10-22-18(13-16)23-12-9-20(15-23)8-4-11-24(19(20)25)17-5-2-1-3-6-17/h7,10,13,17H,1-6,8-9,11-12,15H2/t20-/m0/s1.
What are the key properties of 2-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile?
2-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile has a molecular weight of 338.46 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 97155948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).