methyl 2-methyl-5-[[4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methyl]-1,3-dioxane-2-carboxylate

C24H30N2O5 — CID 11495600

IUPACmethyl 2-methyl-5-[[4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methyl]-1,3-dioxane-2-carboxylate
SMILESCOC(=O)C1(C)OCC(Cc2ccc(OCC3CCCN3c3ccccn3)cc2)CO1
InChIInChI=1S/C24H30N2O5/c1-24(23(27)28-2)30-15-19(16-31-24)14-18-8-10-21(11-9-18)29-17-20-6-5-13-26(20)22-7-3-4-12-25-22/h3-4,7-12,19-20H,5-6,13-17H2,1-2H3
InChIKeyGZTJXDCNEZXAHX-UHFFFAOYSA-N
MW426.51 g/mol
LogP3.22
Rot. Bonds7

About methyl 2-methyl-5-[[4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methyl]-1,3-dioxane-2-carboxylate

methyl 2-methyl-5-[[4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methyl]-1,3-dioxane-2-carboxylate (PubChem CID 11495600) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is methyl 2-methyl-5-[[4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methyl]-1,3-dioxane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methyl]-1,3-dioxane-2-carboxylate
PubChem CID11495600
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Namemethyl 2-methyl-5-[[4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methyl]-1,3-dioxane-2-carboxylate
SMILESCOC(=O)C1(C)OCC(Cc2ccc(OCC3CCCN3c3ccccn3)cc2)CO1
InChIInChI=1S/C24H30N2O5/c1-24(23(27)28-2)30-15-19(16-31-24)14-18-8-10-21(11-9-18)29-17-20-6-5-13-26(20)22-7-3-4-12-25-22/h3-4,7-12,19-20H,5-6,13-17H2,1-2H3
InChIKeyGZTJXDCNEZXAHX-UHFFFAOYSA-N
XLogP3.22
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-methyl-5-[[4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methyl]-1,3-dioxane-2-carboxylate with MolForge

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Related Compounds

4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]benzaldehyde
CID 57106797
4-[[(2S)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]benzaldehyde
CID 11129755
methyl 5-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-2-methyl-1,3-dioxane-2-carboxylate
CID 11501660
methyl 5-[[4-[2-(2,3-dihydro-1,4-benzoxazin-4-yl)ethoxy]phenyl]methyl]-2-methyl-1,3-dioxane-2-carboxylate
CID 11575509
tert-butyl-dimethyl-[[(2R)-1-pyridin-2-ylpyrrolidin-2-yl]methoxy]silane
CID 177415257
methyl 5-[[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]methoxy]phenyl]methyl]-2-methyl-1,3-dioxane-2-carboxylate
CID 11554984
N,N-dimethyl-4-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 166303846
2-[2-(3-phenylpropyl)pyrrolidin-1-yl]pyridine
CID 133377119
2-[2-[(4-benzylphenoxy)methyl]pyrrolidin-1-yl]acetic acid
CID 68998811
4-methyl-2-[2-(phenoxymethyl)pyrrolidin-1-yl]pyrimidine
CID 133310050
acetic acid;2-[(4-ethylphenoxy)methyl]-1-methylpyrrolidine
CID 91515724
2-(2-methoxycarbonylanilino)-3-[4-[(1-phenylpyrrolidin-2-yl)methoxy]phenyl]propanoic acid
CID 54362615

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methyl]-1,3-dioxane-2-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methyl]-1,3-dioxane-2-carboxylate (CID 11495600) is methyl 2-methyl-5-[[4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methyl]-1,3-dioxane-2-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methyl]-1,3-dioxane-2-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methyl]-1,3-dioxane-2-carboxylate is COC(=O)C1(C)OCC(Cc2ccc(OCC3CCCN3c3ccccn3)cc2)CO1.
What is the InChIKey of methyl 2-methyl-5-[[4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methyl]-1,3-dioxane-2-carboxylate?
The InChIKey is GZTJXDCNEZXAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-24(23(27)28-2)30-15-19(16-31-24)14-18-8-10-21(11-9-18)29-17-20-6-5-13-26(20)22-7-3-4-12-25-22/h3-4,7-12,19-20H,5-6,13-17H2,1-2H3.
What are the key properties of methyl 2-methyl-5-[[4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methyl]-1,3-dioxane-2-carboxylate?
methyl 2-methyl-5-[[4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methyl]-1,3-dioxane-2-carboxylate has a molecular weight of 426.51 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[4-[(1-pyridin-2-ylpyrrolidin-2-yl)methoxy]phenyl]methyl]-1,3-dioxane-2-carboxylate is sourced from PubChem (CID 11495600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).