2-[[2-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]methoxy]-6-methylbenzaldehyde;2-ethenyl-3-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]phenol;2-methyl-6-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methoxy]benzaldehyde;2-methyl-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde

C76H84N8O11 — CID 162215014

IUPAC2-[[2-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]methoxy]-6-methylbenzaldehyde;2-ethenyl-3-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]phenol;2-methyl-6-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methoxy]benzaldehyde;2-methyl-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde
SMILESC=Cc1c(O)cccc1OCc1cccnc1N1CC2(COC2)C1.Cc1cccc(OCc2cccnc2C2=CCOCC2)c1C=O.Cc1cccc(OCc2cccnc2N2CCCN(C)CC2)c1C=O.Cc1cccc(OCc2cccnc2N2CCOCC2)c1C=O
InChIInChI=1S/C20H25N3O2.C19H20N2O3.C19H19NO3.C18H20N2O3/c1-16-6-3-8-19(18(16)14-24)25-15-17-7-4-9-21-20(17)23-11-5-10-22(2)12-13-23;1-2-15-16(22)6-3-7-17(15)24-9-14-5-4-8-20-18(14)21-10-19(11-21)12-23-13-19;1-14-4-2-6-18(17(14)12-21)23-13-16-5-3-9-20-19(16)15-7-10-22-11-8-15;1-14-4-2-6-17(16(14)12-21)23-13-15-5-3-7-19-18(15)20-8-10-22-11-9-20/h3-4,6-9,14H,5,10-13,15H2,1-2H3;2-8,22H,1,9-13H2;2-7,9,12H,8,10-11,13H2,1H3;2-7,12H,8-11,13H2,1H3
InChIKeyZTIPNEZELXLHDL-UHFFFAOYSA-N
MW1285.55 g/mol
LogP11.97
Rot. Bonds20

About 2-[[2-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]methoxy]-6-methylbenzaldehyde;2-ethenyl-3-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]phenol;2-methyl-6-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methoxy]benzaldehyde;2-methyl-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde

2-[[2-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]methoxy]-6-methylbenzaldehyde;2-ethenyl-3-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]phenol;2-methyl-6-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methoxy]benzaldehyde;2-methyl-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde (PubChem CID 162215014) has the molecular formula C76H84N8O11 and a molecular weight of 1285.55 g/mol. Its IUPAC name is 2-[[2-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]methoxy]-6-methylbenzaldehyde;2-ethenyl-3-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]phenol;2-methyl-6-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methoxy]benzaldehyde;2-methyl-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name2-[[2-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]methoxy]-6-methylbenzaldehyde;2-ethenyl-3-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]phenol;2-methyl-6-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methoxy]benzaldehyde;2-methyl-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde
PubChem CID162215014
Molecular FormulaC76H84N8O11
Molecular Weight1285.55 g/mol
Exact Mass1284.63
IUPAC Name2-[[2-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]methoxy]-6-methylbenzaldehyde;2-ethenyl-3-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]phenol;2-methyl-6-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methoxy]benzaldehyde;2-methyl-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde
SMILESC=Cc1c(O)cccc1OCc1cccnc1N1CC2(COC2)C1.Cc1cccc(OCc2cccnc2C2=CCOCC2)c1C=O.Cc1cccc(OCc2cccnc2N2CCCN(C)CC2)c1C=O.Cc1cccc(OCc2cccnc2N2CCOCC2)c1C=O
InChIInChI=1S/C20H25N3O2.C19H20N2O3.C19H19NO3.C18H20N2O3/c1-16-6-3-8-19(18(16)14-24)25-15-17-7-4-9-21-20(17)23-11-5-10-22(2)12-13-23;1-2-15-16(22)6-3-7-17(15)24-9-14-5-4-8-20-18(14)21-10-19(11-21)12-23-13-19;1-14-4-2-6-18(17(14)12-21)23-13-16-5-3-9-20-19(16)15-7-10-22-11-8-15;1-14-4-2-6-17(16(14)12-21)23-13-15-5-3-7-19-18(15)20-8-10-22-11-9-20/h3-4,6-9,14H,5,10-13,15H2,1-2H3;2-8,22H,1,9-13H2;2-7,9,12H,8,10-11,13H2,1H3;2-7,12H,8-11,13H2,1H3
InChIKeyZTIPNEZELXLHDL-UHFFFAOYSA-N
XLogP11.97
TPSA200.57 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001285.55
LogP ≤ 511.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2-[[2-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]methoxy]-6-methylbenzaldehyde;2-ethenyl-3-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]phenol;2-methyl-6-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methoxy]benzaldehyde;2-methyl-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde with MolForge

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Related Compounds

2-ethenyl-3-[[2-(2-methoxyphenyl)-3-pyridinyl]methoxy]phenol;2-ethenyl-3-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]phenol;2-[1-(3-methoxyphenyl)piperidin-3-yl]oxy-6-methylbenzaldehyde;bis(2-[[(2S)-1-(3-methoxyphenyl)pyrrolidin-2-yl]methoxy]-6-methylbenzaldehyde)
CID 159760021
ethane;2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 145401287
2-[[2-(azetidine-1-carbonyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
CID 86298334
2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
CID 90438070
[2-[5-[3-[(2-ethenyl-3-methylphenoxy)methyl]-2-pyridinyl]pyrazol-1-yl]-1,1-difluoroethyl]phosphane
CID 170093745
2-[[2-(3-formylphenyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
CID 146525241
6-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]pyridine-2-carbaldehyde
CID 146525171
4-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]furan-2-carbaldehyde
CID 146525168
2-formyl-3-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzoic acid
CID 118869852
3-(chloromethyl)-2-(2-propan-2-ylpyrazol-3-yl)pyridine;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde;hydrochloride
CID 162079929
2-hydroxy-6-[[(2S)-1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methoxy]benzaldehyde
CID 175099546
2-methyl-N-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62278791

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]methoxy]-6-methylbenzaldehyde;2-ethenyl-3-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]phenol;2-methyl-6-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methoxy]benzaldehyde;2-methyl-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde?
The IUPAC name of 2-[[2-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]methoxy]-6-methylbenzaldehyde;2-ethenyl-3-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]phenol;2-methyl-6-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methoxy]benzaldehyde;2-methyl-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde (CID 162215014) is 2-[[2-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]methoxy]-6-methylbenzaldehyde;2-ethenyl-3-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]phenol;2-methyl-6-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methoxy]benzaldehyde;2-methyl-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde.
What is the SMILES notation for 2-[[2-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]methoxy]-6-methylbenzaldehyde;2-ethenyl-3-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]phenol;2-methyl-6-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methoxy]benzaldehyde;2-methyl-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde?
The canonical SMILES for 2-[[2-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]methoxy]-6-methylbenzaldehyde;2-ethenyl-3-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]phenol;2-methyl-6-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methoxy]benzaldehyde;2-methyl-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde is C=Cc1c(O)cccc1OCc1cccnc1N1CC2(COC2)C1.Cc1cccc(OCc2cccnc2C2=CCOCC2)c1C=O.Cc1cccc(OCc2cccnc2N2CCCN(C)CC2)c1C=O.Cc1cccc(OCc2cccnc2N2CCOCC2)c1C=O.
What is the InChIKey of 2-[[2-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]methoxy]-6-methylbenzaldehyde;2-ethenyl-3-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]phenol;2-methyl-6-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methoxy]benzaldehyde;2-methyl-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde?
The InChIKey is ZTIPNEZELXLHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.C19H20N2O3.C19H19NO3.C18H20N2O3/c1-16-6-3-8-19(18(16)14-24)25-15-17-7-4-9-21-20(17)23-11-5-10-22(2)12-13-23;1-2-15-16(22)6-3-7-17(15)24-9-14-5-4-8-20-18(14)21-10-19(11-21)12-23-13-19;1-14-4-2-6-18(17(14)12-21)23-13-16-5-3-9-20-19(16)15-7-10-22-11-8-15;1-14-4-2-6-17(16(14)12-21)23-13-15-5-3-7-19-18(15)20-8-10-22-11-9-20/h3-4,6-9,14H,5,10-13,15H2,1-2H3;2-8,22H,1,9-13H2;2-7,9,12H,8,10-11,13H2,1H3;2-7,12H,8-11,13H2,1H3.
What are the key properties of 2-[[2-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]methoxy]-6-methylbenzaldehyde;2-ethenyl-3-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]phenol;2-methyl-6-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methoxy]benzaldehyde;2-methyl-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde?
2-[[2-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]methoxy]-6-methylbenzaldehyde;2-ethenyl-3-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]phenol;2-methyl-6-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methoxy]benzaldehyde;2-methyl-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde has a molecular weight of 1285.55 g/mol, XLogP of 11.97, 20 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]methoxy]-6-methylbenzaldehyde;2-ethenyl-3-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]phenol;2-methyl-6-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methoxy]benzaldehyde;2-methyl-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde is sourced from PubChem (CID 162215014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).