2-hydroxy-6-[[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde

C20H22N2O5 — CID 122589840

IUPAC2-hydroxy-6-[[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde
SMILESCOc1ccc(C(=O)N2CCCC[C@H]2COc2cccc(O)c2C=O)cn1
InChIInChI=1S/C20H22N2O5/c1-26-19-9-8-14(11-21-19)20(25)22-10-3-2-5-15(22)13-27-18-7-4-6-17(24)16(18)12-23/h4,6-9,11-12,15,24H,2-3,5,10,13H2,1H3/t15-/m0/s1
InChIKeyMRDFOQWZEUGJDY-HNNXBMFYSA-N
MW370.41 g/mol
LogP2.68
Rot. Bonds6

About 2-hydroxy-6-[[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde

2-hydroxy-6-[[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde (PubChem CID 122589840) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-hydroxy-6-[[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde
PubChem CID122589840
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-hydroxy-6-[[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde
SMILESCOc1ccc(C(=O)N2CCCC[C@H]2COc2cccc(O)c2C=O)cn1
InChIInChI=1S/C20H22N2O5/c1-26-19-9-8-14(11-21-19)20(25)22-10-3-2-5-15(22)13-27-18-7-4-6-17(24)16(18)12-23/h4,6-9,11-12,15,24H,2-3,5,10,13H2,1H3/t15-/m0/s1
InChIKeyMRDFOQWZEUGJDY-HNNXBMFYSA-N
XLogP2.68
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde?
The IUPAC name of 2-hydroxy-6-[[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde (CID 122589840) is 2-hydroxy-6-[[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde.
What is the SMILES notation for 2-hydroxy-6-[[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde?
The canonical SMILES for 2-hydroxy-6-[[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde is COc1ccc(C(=O)N2CCCC[C@H]2COc2cccc(O)c2C=O)cn1.
What is the InChIKey of 2-hydroxy-6-[[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde?
The InChIKey is MRDFOQWZEUGJDY-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-26-19-9-8-14(11-21-19)20(25)22-10-3-2-5-15(22)13-27-18-7-4-6-17(24)16(18)12-23/h4,6-9,11-12,15,24H,2-3,5,10,13H2,1H3/t15-/m0/s1.
What are the key properties of 2-hydroxy-6-[[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde?
2-hydroxy-6-[[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde has a molecular weight of 370.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[[(2S)-1-(6-methoxypyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde is sourced from PubChem (CID 122589840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).