4-[1-methoxy-2-methyl-6-[[methyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]cyclohexyl]pyridine-2-carbaldehyde

C24H36N2O3 — CID 139383604

IUPAC4-[1-methoxy-2-methyl-6-[[methyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]cyclohexyl]pyridine-2-carbaldehyde
SMILESCOC1(c2ccnc(C=O)c2)C(C)CCCC1CN(C)C1CCC2(CC1)COC2
InChIInChI=1S/C24H36N2O3/c1-18-5-4-6-20(24(18,28-3)19-9-12-25-21(13-19)15-27)14-26(2)22-7-10-23(11-8-22)16-29-17-23/h9,12-13,15,18,20,22H,4-8,10-11,14,16-17H2,1-3H3
InChIKeyQBYMKFGACSNMHO-UHFFFAOYSA-N
MW400.56 g/mol
LogP4.06
Rot. Bonds6

About 4-[1-methoxy-2-methyl-6-[[methyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]cyclohexyl]pyridine-2-carbaldehyde

4-[1-methoxy-2-methyl-6-[[methyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]cyclohexyl]pyridine-2-carbaldehyde (PubChem CID 139383604) has the molecular formula C24H36N2O3 and a molecular weight of 400.56 g/mol. Its IUPAC name is 4-[1-methoxy-2-methyl-6-[[methyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]cyclohexyl]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-[1-methoxy-2-methyl-6-[[methyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]cyclohexyl]pyridine-2-carbaldehyde
PubChem CID139383604
Molecular FormulaC24H36N2O3
Molecular Weight400.56 g/mol
Exact Mass400.27
IUPAC Name4-[1-methoxy-2-methyl-6-[[methyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]cyclohexyl]pyridine-2-carbaldehyde
SMILESCOC1(c2ccnc(C=O)c2)C(C)CCCC1CN(C)C1CCC2(CC1)COC2
InChIInChI=1S/C24H36N2O3/c1-18-5-4-6-20(24(18,28-3)19-9-12-25-21(13-19)15-27)14-26(2)22-7-10-23(11-8-22)16-29-17-23/h9,12-13,15,18,20,22H,4-8,10-11,14,16-17H2,1-3H3
InChIKeyQBYMKFGACSNMHO-UHFFFAOYSA-N
XLogP4.06
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.56
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[1-methoxy-2-methyl-6-[[methyl(oxan-3-yl)amino]methyl]cyclohexyl]pyridine-2-carboxamide
CID 139383216
4-[2-[(dimethylamino)methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carbonitrile
CID 139383197
4-[2-[[ethyl(oxan-3-yl)amino]methyl]-1-methoxy-6-methylcyclohexyl]pyridine-2-carboxamide
CID 139383471
4-[1-methoxy-2-methyl-6-[[methyl-[[(2R)-oxan-2-yl]methyl]amino]methyl]cyclohexyl]pyridine-2-carboxamide
CID 155049582
3-[2-[[2-cyclopropylethyl(methyl)amino]methyl]-1-methoxy-6-methylcyclohexyl]benzamide
CID 139383495
4-[3-(1-acetylazetidin-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-[(3S)-oxan-3-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(2-oxaspiro[3.5]nonan-7-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 158591684
[4-[2-[[cyclopropylmethyl(methyl)amino]methyl]-1-methoxy-6-methylcyclohexyl]phenyl] trifluoromethanesulfonate
CID 139383177
4-[(1S,5R)-9-methoxy-3-(7-oxaspiro[3.5]nonan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 139367967
4-[3-(4-fluorooxan-4-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 154622942
4-[(1R,5S)-3-(1H-imidazol-2-ylmethyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
CID 139368147
N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]cyclopentanamine
CID 102775591
4-[(1R,5S)-3-tert-butyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
CID 139368244

Frequently Asked Questions

What is the IUPAC name of 4-[1-methoxy-2-methyl-6-[[methyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]cyclohexyl]pyridine-2-carbaldehyde?
The IUPAC name of 4-[1-methoxy-2-methyl-6-[[methyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]cyclohexyl]pyridine-2-carbaldehyde (CID 139383604) is 4-[1-methoxy-2-methyl-6-[[methyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]cyclohexyl]pyridine-2-carbaldehyde.
What is the SMILES notation for 4-[1-methoxy-2-methyl-6-[[methyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]cyclohexyl]pyridine-2-carbaldehyde?
The canonical SMILES for 4-[1-methoxy-2-methyl-6-[[methyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]cyclohexyl]pyridine-2-carbaldehyde is COC1(c2ccnc(C=O)c2)C(C)CCCC1CN(C)C1CCC2(CC1)COC2.
What is the InChIKey of 4-[1-methoxy-2-methyl-6-[[methyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]cyclohexyl]pyridine-2-carbaldehyde?
The InChIKey is QBYMKFGACSNMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O3/c1-18-5-4-6-20(24(18,28-3)19-9-12-25-21(13-19)15-27)14-26(2)22-7-10-23(11-8-22)16-29-17-23/h9,12-13,15,18,20,22H,4-8,10-11,14,16-17H2,1-3H3.
What are the key properties of 4-[1-methoxy-2-methyl-6-[[methyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]cyclohexyl]pyridine-2-carbaldehyde?
4-[1-methoxy-2-methyl-6-[[methyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]cyclohexyl]pyridine-2-carbaldehyde has a molecular weight of 400.56 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methoxy-2-methyl-6-[[methyl(2-oxaspiro[3.5]nonan-7-yl)amino]methyl]cyclohexyl]pyridine-2-carbaldehyde is sourced from PubChem (CID 139383604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).