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

C17H19N3O3 — CID 172578180

IUPACmethyl 2-[1-[2-(2-methoxy-4-pyridinyl)-4-pyridinyl]azetidin-3-yl]acetate
SMILESCOC(=O)CC1CN(c2ccnc(-c3ccnc(OC)c3)c2)C1
InChIInChI=1S/C17H19N3O3/c1-22-16-8-13(3-5-19-16)15-9-14(4-6-18-15)20-10-12(11-20)7-17(21)23-2/h3-6,8-9,12H,7,10-11H2,1-2H3
InChIKeyRAGLZMPXXUNSII-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.15
Rot. Bonds5

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

methyl 2-[1-[2-(2-methoxy-4-pyridinyl)-4-pyridinyl]azetidin-3-yl]acetate (PubChem CID 172578180) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is methyl 2-[1-[2-(2-methoxy-4-pyridinyl)-4-pyridinyl]azetidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[2-(2-methoxy-4-pyridinyl)-4-pyridinyl]azetidin-3-yl]acetate
PubChem CID172578180
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Namemethyl 2-[1-[2-(2-methoxy-4-pyridinyl)-4-pyridinyl]azetidin-3-yl]acetate
SMILESCOC(=O)CC1CN(c2ccnc(-c3ccnc(OC)c3)c2)C1
InChIInChI=1S/C17H19N3O3/c1-22-16-8-13(3-5-19-16)15-9-14(4-6-18-15)20-10-12(11-20)7-17(21)23-2/h3-6,8-9,12H,7,10-11H2,1-2H3
InChIKeyRAGLZMPXXUNSII-UHFFFAOYSA-N
XLogP2.15
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[2-(2-methoxy-4-pyridinyl)-4-pyridinyl]azetidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-[2-(2-methoxy-4-pyridinyl)-4-pyridinyl]azetidin-3-yl]acetate (CID 172578180) is methyl 2-[1-[2-(2-methoxy-4-pyridinyl)-4-pyridinyl]azetidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-[2-(2-methoxy-4-pyridinyl)-4-pyridinyl]azetidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-[2-(2-methoxy-4-pyridinyl)-4-pyridinyl]azetidin-3-yl]acetate is COC(=O)CC1CN(c2ccnc(-c3ccnc(OC)c3)c2)C1.
What is the InChIKey of methyl 2-[1-[2-(2-methoxy-4-pyridinyl)-4-pyridinyl]azetidin-3-yl]acetate?
The InChIKey is RAGLZMPXXUNSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-22-16-8-13(3-5-19-16)15-9-14(4-6-18-15)20-10-12(11-20)7-17(21)23-2/h3-6,8-9,12H,7,10-11H2,1-2H3.
What are the key properties of methyl 2-[1-[2-(2-methoxy-4-pyridinyl)-4-pyridinyl]azetidin-3-yl]acetate?
methyl 2-[1-[2-(2-methoxy-4-pyridinyl)-4-pyridinyl]azetidin-3-yl]acetate has a molecular weight of 313.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[2-(2-methoxy-4-pyridinyl)-4-pyridinyl]azetidin-3-yl]acetate is sourced from PubChem (CID 172578180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).