methyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate

C20H24N2O3 — CID 95281906

IUPACmethyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(Cc2cccnc2)C[C@H]2CCCO2)cc1
InChIInChI=1S/C20H24N2O3/c1-24-20(23)18-8-6-16(7-9-18)13-22(15-19-5-3-11-25-19)14-17-4-2-10-21-12-17/h2,4,6-10,12,19H,3,5,11,13-15H2,1H3/t19-/m1/s1
InChIKeyXBKQLEFFDWMXDV-LJQANCHMSA-N
MW340.42 g/mol
LogP3.05
Rot. Bonds7

About methyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate

methyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate (PubChem CID 95281906) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate
PubChem CID95281906
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namemethyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CN(Cc2cccnc2)C[C@H]2CCCO2)cc1
InChIInChI=1S/C20H24N2O3/c1-24-20(23)18-8-6-16(7-9-18)13-22(15-19-5-3-11-25-19)14-17-4-2-10-21-12-17/h2,4,6-10,12,19H,3,5,11,13-15H2,1H3/t19-/m1/s1
InChIKeyXBKQLEFFDWMXDV-LJQANCHMSA-N
XLogP3.05
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate with MolForge

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Related Compounds

methyl 4-[[(4-cyanophenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]benzoate
CID 23964815
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 51493246
methyl 4-[[2-hydroxyethyl(pyridin-3-ylmethyl)amino]methyl]benzoate
CID 11623587
N-[(4-imidazol-1-ylphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 95630548
3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 51121582
1-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 110905251
5-(methoxymethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 87028392
3-acetamido-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 55900018
N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51966521
1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
CID 45198131
methyl 4-(2-pyridin-3-ylethyl)benzoate
CID 19419104
N-(oxolan-2-ylmethyl)-3-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 75904558

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate (CID 95281906) is methyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate is COC(=O)c1ccc(CN(Cc2cccnc2)C[C@H]2CCCO2)cc1.
What is the InChIKey of methyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate?
The InChIKey is XBKQLEFFDWMXDV-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-20(23)18-8-6-16(7-9-18)13-22(15-19-5-3-11-25-19)14-17-4-2-10-21-12-17/h2,4,6-10,12,19H,3,5,11,13-15H2,1H3/t19-/m1/s1.
What are the key properties of methyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate?
methyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate has a molecular weight of 340.42 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate is sourced from PubChem (CID 95281906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).