3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoic acid

C24H26N4O4 — CID 134500936

IUPAC3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoic acid
SMILESCOc1ccc(C(CC(=O)O)N2CC(CCCCc3ccc4cccnc4n3)C2=O)cn1
InChIInChI=1S/C24H26N4O4/c1-32-21-11-9-17(14-26-21)20(13-22(29)30)28-15-18(24(28)31)5-2-3-7-19-10-8-16-6-4-12-25-23(16)27-19/h4,6,8-12,14,18,20H,2-3,5,7,13,15H2,1H3,(H,29,30)
InChIKeyGCHUZNGBENFCOR-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.42
Rot. Bonds10

About 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoic acid

3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoic acid (PubChem CID 134500936) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoic acid
PubChem CID134500936
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoic acid
SMILESCOc1ccc(C(CC(=O)O)N2CC(CCCCc3ccc4cccnc4n3)C2=O)cn1
InChIInChI=1S/C24H26N4O4/c1-32-21-11-9-17(14-26-21)20(13-22(29)30)28-15-18(24(28)31)5-2-3-7-19-10-8-16-6-4-12-25-23(16)27-19/h4,6,8-12,14,18,20H,2-3,5,7,13,15H2,1H3,(H,29,30)
InChIKeyGCHUZNGBENFCOR-UHFFFAOYSA-N
XLogP3.42
TPSA105.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoic acid?
The IUPAC name of 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoic acid (CID 134500936) is 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoic acid.
What is the SMILES notation for 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoic acid?
The canonical SMILES for 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoic acid is COc1ccc(C(CC(=O)O)N2CC(CCCCc3ccc4cccnc4n3)C2=O)cn1.
What is the InChIKey of 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoic acid?
The InChIKey is GCHUZNGBENFCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-32-21-11-9-17(14-26-21)20(13-22(29)30)28-15-18(24(28)31)5-2-3-7-19-10-8-16-6-4-12-25-23(16)27-19/h4,6,8-12,14,18,20H,2-3,5,7,13,15H2,1H3,(H,29,30).
What are the key properties of 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoic acid?
3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoic acid has a molecular weight of 434.50 g/mol, XLogP of 3.42, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-3-pyridinyl)-3-[3-[4-(1,8-naphthyridin-2-yl)butyl]-2-oxoazetidin-1-yl]propanoic acid is sourced from PubChem (CID 134500936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).