(3-hydroxy-4-pyridinyl)-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone

C16H23N3O2 — CID 99971985

IUPAC(3-hydroxy-4-pyridinyl)-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
SMILESCN1CCC[C@]2(CCCN(C(=O)c3ccncc3O)C2)C1
InChIInChI=1S/C16H23N3O2/c1-18-8-2-5-16(11-18)6-3-9-19(12-16)15(21)13-4-7-17-10-14(13)20/h4,7,10,20H,2-3,5-6,8-9,11-12H2,1H3/t16-/m0/s1
InChIKeyKPIGTTXKZYZDFP-INIZCTEOSA-N
MW289.38 g/mol
LogP1.74
Rot. Bonds1

About (3-hydroxy-4-pyridinyl)-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone

(3-hydroxy-4-pyridinyl)-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone (PubChem CID 99971985) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (3-hydroxy-4-pyridinyl)-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-4-pyridinyl)-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
PubChem CID99971985
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(3-hydroxy-4-pyridinyl)-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone
SMILESCN1CCC[C@]2(CCCN(C(=O)c3ccncc3O)C2)C1
InChIInChI=1S/C16H23N3O2/c1-18-8-2-5-16(11-18)6-3-9-19(12-16)15(21)13-4-7-17-10-14(13)20/h4,7,10,20H,2-3,5-6,8-9,11-12H2,1H3/t16-/m0/s1
InChIKeyKPIGTTXKZYZDFP-INIZCTEOSA-N
XLogP1.74
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-hydroxy-4-pyridinyl)-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone with MolForge

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Related Compounds

(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 77090878
(3-hydroxy-2-pyridinyl)-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 56756209
2,7-diazaspiro[4.5]decan-7-yl-(3-ethyl-4-pyridinyl)methanone
CID 154762707
(3-hydroxy-4-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 80707017
[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 95043098
(4-ethylazepan-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 80706943
(3-hydroxy-4-pyridinyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 80706861
(3-hydroxy-4-pyridinyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 80706680
1-(3-hydroxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 81445360
(4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 95218279
[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
CID 97370481
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-pyridinyl)-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
The IUPAC name of (3-hydroxy-4-pyridinyl)-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone (CID 99971985) is (3-hydroxy-4-pyridinyl)-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-4-pyridinyl)-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
The canonical SMILES for (3-hydroxy-4-pyridinyl)-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone is CN1CCC[C@]2(CCCN(C(=O)c3ccncc3O)C2)C1.
What is the InChIKey of (3-hydroxy-4-pyridinyl)-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
The InChIKey is KPIGTTXKZYZDFP-INIZCTEOSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18-8-2-5-16(11-18)6-3-9-19(12-16)15(21)13-4-7-17-10-14(13)20/h4,7,10,20H,2-3,5-6,8-9,11-12H2,1H3/t16-/m0/s1.
What are the key properties of (3-hydroxy-4-pyridinyl)-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone?
(3-hydroxy-4-pyridinyl)-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone has a molecular weight of 289.38 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-pyridinyl)-[(6S)-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]methanone is sourced from PubChem (CID 99971985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).