methyl 3-(6-methyl-2-pyridinyl)-2,2-diphenylpropanoate

C22H21NO2 — CID 2818470

IUPACmethyl 3-(6-methyl-2-pyridinyl)-2,2-diphenylpropanoate
SMILESCOC(=O)C(Cc1cccc(C)n1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2/c1-17-10-9-15-20(23-17)16-22(21(24)25-2,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-15H,16H2,1-2H3
InChIKeyKJJSYRYJTJRJJO-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.09
Rot. Bonds5

About methyl 3-(6-methyl-2-pyridinyl)-2,2-diphenylpropanoate

methyl 3-(6-methyl-2-pyridinyl)-2,2-diphenylpropanoate (PubChem CID 2818470) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is methyl 3-(6-methyl-2-pyridinyl)-2,2-diphenylpropanoate.

Molecular Properties

Compound Namemethyl 3-(6-methyl-2-pyridinyl)-2,2-diphenylpropanoate
PubChem CID2818470
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Namemethyl 3-(6-methyl-2-pyridinyl)-2,2-diphenylpropanoate
SMILESCOC(=O)C(Cc1cccc(C)n1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2/c1-17-10-9-15-20(23-17)16-22(21(24)25-2,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-15H,16H2,1-2H3
InChIKeyKJJSYRYJTJRJJO-UHFFFAOYSA-N
XLogP4.09
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-methyl-2-pyridinyl)-2,2-diphenylpropanoate?
The IUPAC name of methyl 3-(6-methyl-2-pyridinyl)-2,2-diphenylpropanoate (CID 2818470) is methyl 3-(6-methyl-2-pyridinyl)-2,2-diphenylpropanoate.
What is the SMILES notation for methyl 3-(6-methyl-2-pyridinyl)-2,2-diphenylpropanoate?
The canonical SMILES for methyl 3-(6-methyl-2-pyridinyl)-2,2-diphenylpropanoate is COC(=O)C(Cc1cccc(C)n1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-(6-methyl-2-pyridinyl)-2,2-diphenylpropanoate?
The InChIKey is KJJSYRYJTJRJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-17-10-9-15-20(23-17)16-22(21(24)25-2,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-15H,16H2,1-2H3.
What are the key properties of methyl 3-(6-methyl-2-pyridinyl)-2,2-diphenylpropanoate?
methyl 3-(6-methyl-2-pyridinyl)-2,2-diphenylpropanoate has a molecular weight of 331.42 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-methyl-2-pyridinyl)-2,2-diphenylpropanoate is sourced from PubChem (CID 2818470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).