5-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one

C19H25N3O3 — CID 127050405

IUPAC5-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one
SMILESCOc1cc(-c2cc(C)c(=O)n(C)c2)cc(OC)c1CN1CC(N)C1
InChIInChI=1S/C19H25N3O3/c1-12-5-14(8-21(2)19(12)23)13-6-17(24-3)16(18(7-13)25-4)11-22-9-15(20)10-22/h5-8,15H,9-11,20H2,1-4H3
InChIKeyAOBSWIIFBXWNBX-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.52
Rot. Bonds5

About 5-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one

5-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one (PubChem CID 127050405) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one
PubChem CID127050405
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name5-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one
SMILESCOc1cc(-c2cc(C)c(=O)n(C)c2)cc(OC)c1CN1CC(N)C1
InChIInChI=1S/C19H25N3O3/c1-12-5-14(8-21(2)19(12)23)13-6-17(24-3)16(18(7-13)25-4)11-22-9-15(20)10-22/h5-8,15H,9-11,20H2,1-4H3
InChIKeyAOBSWIIFBXWNBX-UHFFFAOYSA-N
XLogP1.52
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one (CID 127050405) is 5-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one is COc1cc(-c2cc(C)c(=O)n(C)c2)cc(OC)c1CN1CC(N)C1.
What is the InChIKey of 5-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one?
The InChIKey is AOBSWIIFBXWNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12-5-14(8-21(2)19(12)23)13-6-17(24-3)16(18(7-13)25-4)11-22-9-15(20)10-22/h5-8,15H,9-11,20H2,1-4H3.
What are the key properties of 5-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one?
5-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one has a molecular weight of 343.43 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3-aminoazetidin-1-yl)methyl]-3,5-dimethoxyphenyl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 127050405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).