methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate

C18H20N2O2 — CID 172578240

IUPACmethyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate
SMILESCOC(=O)CC1CN(c2ccc(-c3ccnc(C)c3)cc2)C1
InChIInChI=1S/C18H20N2O2/c1-13-9-16(7-8-19-13)15-3-5-17(6-4-15)20-11-14(12-20)10-18(21)22-2/h3-9,14H,10-12H2,1-2H3
InChIKeyUHJRJMPHZTYNMF-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.06
Rot. Bonds4

About methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate

methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate (PubChem CID 172578240) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate
PubChem CID172578240
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Namemethyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate
SMILESCOC(=O)CC1CN(c2ccc(-c3ccnc(C)c3)cc2)C1
InChIInChI=1S/C18H20N2O2/c1-13-9-16(7-8-19-13)15-3-5-17(6-4-15)20-11-14(12-20)10-18(21)22-2/h3-9,14H,10-12H2,1-2H3
InChIKeyUHJRJMPHZTYNMF-UHFFFAOYSA-N
XLogP3.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate (CID 172578240) is methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate is COC(=O)CC1CN(c2ccc(-c3ccnc(C)c3)cc2)C1.
What is the InChIKey of methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate?
The InChIKey is UHJRJMPHZTYNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-9-16(7-8-19-13)15-3-5-17(6-4-15)20-11-14(12-20)10-18(21)22-2/h3-9,14H,10-12H2,1-2H3.
What are the key properties of methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate?
methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate has a molecular weight of 296.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[4-(2-methyl-4-pyridinyl)phenyl]azetidin-3-yl]acetate is sourced from PubChem (CID 172578240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).