5-[[2-(2-chloro-3-pyridinyl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde

C24H30ClN3O4 — CID 90434135

IUPAC5-[[2-(2-chloro-3-pyridinyl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
SMILESO=Cc1cc(OCCN2CCOCC2)ncc1OCC1CCCCC1c1cccnc1Cl
InChIInChI=1S/C24H30ClN3O4/c25-24-21(6-3-7-26-24)20-5-2-1-4-18(20)17-32-22-15-27-23(14-19(22)16-29)31-13-10-28-8-11-30-12-9-28/h3,6-7,14-16,18,20H,1-2,4-5,8-13,17H2
InChIKeyLGQUYMGFFCJTQE-UHFFFAOYSA-N
MW459.97 g/mol
LogP4.01
Rot. Bonds9

About 5-[[2-(2-chloro-3-pyridinyl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde

5-[[2-(2-chloro-3-pyridinyl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde (PubChem CID 90434135) has the molecular formula C24H30ClN3O4 and a molecular weight of 459.97 g/mol. Its IUPAC name is 5-[[2-(2-chloro-3-pyridinyl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name5-[[2-(2-chloro-3-pyridinyl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
PubChem CID90434135
Molecular FormulaC24H30ClN3O4
Molecular Weight459.97 g/mol
Exact Mass459.19
IUPAC Name5-[[2-(2-chloro-3-pyridinyl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
SMILESO=Cc1cc(OCCN2CCOCC2)ncc1OCC1CCCCC1c1cccnc1Cl
InChIInChI=1S/C24H30ClN3O4/c25-24-21(6-3-7-26-24)20-5-2-1-4-18(20)17-32-22-15-27-23(14-19(22)16-29)31-13-10-28-8-11-30-12-9-28/h3,6-7,14-16,18,20H,1-2,4-5,8-13,17H2
InChIKeyLGQUYMGFFCJTQE-UHFFFAOYSA-N
XLogP4.01
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.97
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(2-cyclopentylpyrazol-3-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
CID 118867797
5-[[2-(2-hydroxybutan-2-yl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
CID 90434266
5-[(5-methyl-5,6,6a,7,8,9,10,10a-octahydropyrazolo[5,1-a]isoquinolin-6-yl)oxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
CID 123583902
2-methoxy-5-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-4-carbaldehyde
CID 118867847
5-tert-butyl-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde
CID 129254356
2-(2-morpholin-4-ylethoxy)-5-[[2-[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]cyclohexen-1-yl]methoxy]pyridine-4-carbaldehyde
CID 118867840
3-[[2-(2-chlorophenyl)cyclohexyl]methoxy]-5-methylpyridine-4-carbaldehyde
CID 118867768
3-[[2-(2-cyclobutylpyrazol-3-yl)cyclohexyl]methoxy]pyridine-2-carbaldehyde
CID 118867860
4-methoxy-3-(2-morpholin-4-ylethoxy)benzaldehyde
CID 3251033
4-(2-morpholin-4-ylethoxy)-3-nitrobenzaldehyde
CID 23117913
4-[2-(2,3-dichlorophenoxy)ethyl]morpholine
CID 869488
3-methyl-2-(2-morpholin-4-ylethoxy)-4-propoxybenzaldehyde
CID 71420401

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-chloro-3-pyridinyl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde?
The IUPAC name of 5-[[2-(2-chloro-3-pyridinyl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde (CID 90434135) is 5-[[2-(2-chloro-3-pyridinyl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde.
What is the SMILES notation for 5-[[2-(2-chloro-3-pyridinyl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde?
The canonical SMILES for 5-[[2-(2-chloro-3-pyridinyl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde is O=Cc1cc(OCCN2CCOCC2)ncc1OCC1CCCCC1c1cccnc1Cl.
What is the InChIKey of 5-[[2-(2-chloro-3-pyridinyl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde?
The InChIKey is LGQUYMGFFCJTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O4/c25-24-21(6-3-7-26-24)20-5-2-1-4-18(20)17-32-22-15-27-23(14-19(22)16-29)31-13-10-28-8-11-30-12-9-28/h3,6-7,14-16,18,20H,1-2,4-5,8-13,17H2.
What are the key properties of 5-[[2-(2-chloro-3-pyridinyl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde?
5-[[2-(2-chloro-3-pyridinyl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde has a molecular weight of 459.97 g/mol, XLogP of 4.01, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-chloro-3-pyridinyl)cyclohexyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-4-carbaldehyde is sourced from PubChem (CID 90434135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).