azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone

C13H18N2O2 — CID 54861395

IUPACazocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
SMILESO=C(c1ncccc1O)N1CCCCCCC1
InChIInChI=1S/C13H18N2O2/c16-11-7-6-8-14-12(11)13(17)15-9-4-2-1-3-5-10-15/h6-8,16H,1-5,9-10H2
InChIKeyYCOBHZSNQISEGZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.19
Rot. Bonds1

About azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone

azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone (PubChem CID 54861395) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
PubChem CID54861395
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Nameazocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
SMILESO=C(c1ncccc1O)N1CCCCCCC1
InChIInChI=1S/C13H18N2O2/c16-11-7-6-8-14-12(11)13(17)15-9-4-2-1-3-5-10-15/h6-8,16H,1-5,9-10H2
InChIKeyYCOBHZSNQISEGZ-UHFFFAOYSA-N
XLogP2.19
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 66715242
(3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone
CID 60923480
(3-hydroxypiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 60923940
methyl (3S)-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylate
CID 78919789
(4-ethyl-4-methylpiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 55139224
[4-(1-hydroxyethyl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 104954674
(3-hydroxy-2-pyridinyl)-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 56756209
(3,4-difluorophenyl)-[4-(3-hydroxypyridine-2-carbonyl)piperazin-1-yl]methanone
CID 51105832
(3-hydroxy-2-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205969
(7,7-dimethyl-1,4-thiazepan-4-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 107300789
3-[1-(3-hydroxypyridine-2-carbonyl)piperidin-4-yl]propanoic acid
CID 62217819
(3-hydroxy-2-pyridinyl)-[4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72917230

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone?
The IUPAC name of azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone (CID 54861395) is azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone.
What is the SMILES notation for azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone?
The canonical SMILES for azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone is O=C(c1ncccc1O)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone?
The InChIKey is YCOBHZSNQISEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-11-7-6-8-14-12(11)13(17)15-9-4-2-1-3-5-10-15/h6-8,16H,1-5,9-10H2.
What are the key properties of azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone?
azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone has a molecular weight of 234.30 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone is sourced from PubChem (CID 54861395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).