[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(4-methylphenyl)methanone

C23H27N3O3 — CID 171913207

IUPAC[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)CC(O)CN(C(=O)c2cccnc2)C3)cc1
InChIInChI=1S/C23H27N3O3/c1-17-4-6-18(7-5-17)21(28)25-11-8-23(9-12-25)13-20(27)15-26(16-23)22(29)19-3-2-10-24-14-19/h2-7,10,14,20,27H,8-9,11-13,15-16H2,1H3
InChIKeyMCHLRAWJMMLCTJ-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.52
Rot. Bonds2

About [4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(4-methylphenyl)methanone

[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(4-methylphenyl)methanone (PubChem CID 171913207) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is [4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(4-methylphenyl)methanone
PubChem CID171913207
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)CC(O)CN(C(=O)c2cccnc2)C3)cc1
InChIInChI=1S/C23H27N3O3/c1-17-4-6-18(7-5-17)21(28)25-11-8-23(9-12-25)13-20(27)15-26(16-23)22(29)19-3-2-10-24-14-19/h2-7,10,14,20,27H,8-9,11-13,15-16H2,1H3
InChIKeyMCHLRAWJMMLCTJ-UHFFFAOYSA-N
XLogP2.52
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-2-(3-methylphenyl)ethanone
CID 171912252
[4-hydroxy-9-(4-methoxypyridine-2-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-3-ylmethanone
CID 171907043
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 124985805
[9-[(2-fluoro-4-methoxyphenyl)methyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-3-ylmethanone
CID 171910976
(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-pyridin-3-ylmethanone
CID 97451282
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98897052
1-[9-[6-(dimethylamino)pyridine-3-carbonyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 171915691
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115269846
[(3R)-3-(methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97375074
6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119137379
[4-(8-hydroxy-6-azaspiro[3.5]nonane-6-carbonyl)phenyl]-(3-hydroxyphenyl)methanone
CID 167796437

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(4-methylphenyl)methanone (CID 171913207) is [4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCC3(CC2)CC(O)CN(C(=O)c2cccnc2)C3)cc1.
What is the InChIKey of [4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(4-methylphenyl)methanone?
The InChIKey is MCHLRAWJMMLCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17-4-6-18(7-5-17)21(28)25-11-8-23(9-12-25)13-20(27)15-26(16-23)22(29)19-3-2-10-24-14-19/h2-7,10,14,20,27H,8-9,11-13,15-16H2,1H3.
What are the key properties of [4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(4-methylphenyl)methanone?
[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(4-methylphenyl)methanone has a molecular weight of 393.49 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 171913207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).