1-[9-[6-(dimethylamino)pyridine-3-carbonyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]ethanone

C19H28N4O3 — CID 171915691

IUPAC1-[9-[6-(dimethylamino)pyridine-3-carbonyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
SMILESCC(=O)N1CC(O)CC2(CCN(C(=O)c3ccc(N(C)C)nc3)CC2)C1
InChIInChI=1S/C19H28N4O3/c1-14(24)23-12-16(25)10-19(13-23)6-8-22(9-7-19)18(26)15-4-5-17(20-11-15)21(2)3/h4-5,11,16,25H,6-10,12-13H2,1-3H3
InChIKeyKLQZULSKDMJAJX-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.98
Rot. Bonds2

About 1-[9-[6-(dimethylamino)pyridine-3-carbonyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]ethanone

1-[9-[6-(dimethylamino)pyridine-3-carbonyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]ethanone (PubChem CID 171915691) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[9-[6-(dimethylamino)pyridine-3-carbonyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]ethanone.

Molecular Properties

Compound Name1-[9-[6-(dimethylamino)pyridine-3-carbonyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
PubChem CID171915691
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name1-[9-[6-(dimethylamino)pyridine-3-carbonyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
SMILESCC(=O)N1CC(O)CC2(CCN(C(=O)c3ccc(N(C)C)nc3)CC2)C1
InChIInChI=1S/C19H28N4O3/c1-14(24)23-12-16(25)10-19(13-23)6-8-22(9-7-19)18(26)15-4-5-17(20-11-15)21(2)3/h4-5,11,16,25H,6-10,12-13H2,1-3H3
InChIKeyKLQZULSKDMJAJX-UHFFFAOYSA-N
XLogP0.98
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[9-[6-(dimethylamino)pyridine-3-carbonyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]ethanone with MolForge

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Related Compounds

[6-(dimethylamino)-3-pyridinyl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261774
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 79410918
[4-hydroxy-2-(pyridine-3-carbonyl)-2,9-diazaspiro[5.5]undecan-9-yl]-(4-methylphenyl)methanone
CID 171913207
1-[2-(6-methylpyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 134689506
1-[6-(dimethylamino)pyridine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 63007175
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone;dihydrochloride
CID 120805286
[6-(dimethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78859312
3,9-diazabicyclo[4.2.1]nonan-3-yl-[6-(dimethylamino)-3-pyridinyl]methanone
CID 119636994
(3S)-1-[6-(dimethylamino)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 81120843
[6-(dimethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627239
[6-(dimethylamino)-3-pyridinyl]-[(4R)-4-[[6-(dimethylamino)-3-pyridinyl]amino]azepan-1-yl]methanone
CID 129343902
9-[6-(dimethylamino)pyridine-3-carbonyl]-2-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97127843

Frequently Asked Questions

What is the IUPAC name of 1-[9-[6-(dimethylamino)pyridine-3-carbonyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
The IUPAC name of 1-[9-[6-(dimethylamino)pyridine-3-carbonyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]ethanone (CID 171915691) is 1-[9-[6-(dimethylamino)pyridine-3-carbonyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]ethanone.
What is the SMILES notation for 1-[9-[6-(dimethylamino)pyridine-3-carbonyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
The canonical SMILES for 1-[9-[6-(dimethylamino)pyridine-3-carbonyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]ethanone is CC(=O)N1CC(O)CC2(CCN(C(=O)c3ccc(N(C)C)nc3)CC2)C1.
What is the InChIKey of 1-[9-[6-(dimethylamino)pyridine-3-carbonyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
The InChIKey is KLQZULSKDMJAJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-14(24)23-12-16(25)10-19(13-23)6-8-22(9-7-19)18(26)15-4-5-17(20-11-15)21(2)3/h4-5,11,16,25H,6-10,12-13H2,1-3H3.
What are the key properties of 1-[9-[6-(dimethylamino)pyridine-3-carbonyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]ethanone?
1-[9-[6-(dimethylamino)pyridine-3-carbonyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]ethanone has a molecular weight of 360.46 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-[6-(dimethylamino)pyridine-3-carbonyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-2-yl]ethanone is sourced from PubChem (CID 171915691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).