4-[[(5S)-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile

C22H24N4O — CID 3234423

IUPAC4-[[(5S)-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CC[C@@]3(CCCN(C(=O)c4ccncc4)C3)C2)cc1
InChIInChI=1S/C22H24N4O/c23-14-18-2-4-19(5-3-18)15-25-13-9-22(16-25)8-1-12-26(17-22)21(27)20-6-10-24-11-7-20/h2-7,10-11H,1,8-9,12-13,15-17H2/t22-/m0/s1
InChIKeyKMQNOWGKKYOLNF-QFIPXVFZSA-N
MW360.46 g/mol
LogP3.08
Rot. Bonds3

About 4-[[(5S)-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile

4-[[(5S)-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile (PubChem CID 3234423) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 4-[[(5S)-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(5S)-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile
PubChem CID3234423
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name4-[[(5S)-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile
SMILESN#Cc1ccc(CN2CC[C@@]3(CCCN(C(=O)c4ccncc4)C3)C2)cc1
InChIInChI=1S/C22H24N4O/c23-14-18-2-4-19(5-3-18)15-25-13-9-22(16-25)8-1-12-26(17-22)21(27)20-6-10-24-11-7-20/h2-7,10-11H,1,8-9,12-13,15-17H2/t22-/m0/s1
InChIKeyKMQNOWGKKYOLNF-QFIPXVFZSA-N
XLogP3.08
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(9-acetyl-2,9-diazaspiro[5.5]undecan-2-yl)methyl]benzonitrile
CID 3233592
[2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131661981
pyridin-3-yl-[2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone;tris(2,2,2-trifluoroacetic acid)
CID 171672638
pyridin-3-yl-[(5S)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97450112
pyridin-4-yl-[9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 131649206
(3,5-dimethoxyphenyl)-[(5R)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 95208822
[2-[[2-(2-methylpropoxy)phenyl]methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-4-ylmethanone
CID 69429871
5-(9-benzyl-2,9-diazaspiro[4.5]decane-2-carbonyl)pyridine-3-carboxylic acid
CID 166254868
2-hydroxy-1-[7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]ethanone
CID 97472798
[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
CID 97370481
[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
CID 45171495
1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964591

Frequently Asked Questions

What is the IUPAC name of 4-[[(5S)-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile?
The IUPAC name of 4-[[(5S)-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile (CID 3234423) is 4-[[(5S)-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[(5S)-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[(5S)-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile is N#Cc1ccc(CN2CC[C@@]3(CCCN(C(=O)c4ccncc4)C3)C2)cc1.
What is the InChIKey of 4-[[(5S)-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile?
The InChIKey is KMQNOWGKKYOLNF-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H24N4O/c23-14-18-2-4-19(5-3-18)15-25-13-9-22(16-25)8-1-12-26(17-22)21(27)20-6-10-24-11-7-20/h2-7,10-11H,1,8-9,12-13,15-17H2/t22-/m0/s1.
What are the key properties of 4-[[(5S)-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile?
4-[[(5S)-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile has a molecular weight of 360.46 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5S)-7-(pyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzonitrile is sourced from PubChem (CID 3234423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).