methyl 2-[5-[formyl(8-hydroxyoctyl)amino]-2-oxo-1-pyridinyl]acetate

C17H26N2O5 — CID 176932525

IUPACmethyl 2-[5-[formyl(8-hydroxyoctyl)amino]-2-oxo-1-pyridinyl]acetate
SMILESCOC(=O)Cn1cc(N(C=O)CCCCCCCCO)ccc1=O
InChIInChI=1S/C17H26N2O5/c1-24-17(23)13-19-12-15(8-9-16(19)22)18(14-21)10-6-4-2-3-5-7-11-20/h8-9,12,14,20H,2-7,10-11,13H2,1H3
InChIKeyCGWYPTZPIGNAIC-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.32
Rot. Bonds12

About methyl 2-[5-[formyl(8-hydroxyoctyl)amino]-2-oxo-1-pyridinyl]acetate

methyl 2-[5-[formyl(8-hydroxyoctyl)amino]-2-oxo-1-pyridinyl]acetate (PubChem CID 176932525) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is methyl 2-[5-[formyl(8-hydroxyoctyl)amino]-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-[formyl(8-hydroxyoctyl)amino]-2-oxo-1-pyridinyl]acetate
PubChem CID176932525
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Namemethyl 2-[5-[formyl(8-hydroxyoctyl)amino]-2-oxo-1-pyridinyl]acetate
SMILESCOC(=O)Cn1cc(N(C=O)CCCCCCCCO)ccc1=O
InChIInChI=1S/C17H26N2O5/c1-24-17(23)13-19-12-15(8-9-16(19)22)18(14-21)10-6-4-2-3-5-7-11-20/h8-9,12,14,20H,2-7,10-11,13H2,1H3
InChIKeyCGWYPTZPIGNAIC-UHFFFAOYSA-N
XLogP1.32
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[formyl(8-hydroxyoctyl)amino]-2-oxo-1-pyridinyl]acetate?
The IUPAC name of methyl 2-[5-[formyl(8-hydroxyoctyl)amino]-2-oxo-1-pyridinyl]acetate (CID 176932525) is methyl 2-[5-[formyl(8-hydroxyoctyl)amino]-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for methyl 2-[5-[formyl(8-hydroxyoctyl)amino]-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for methyl 2-[5-[formyl(8-hydroxyoctyl)amino]-2-oxo-1-pyridinyl]acetate is COC(=O)Cn1cc(N(C=O)CCCCCCCCO)ccc1=O.
What is the InChIKey of methyl 2-[5-[formyl(8-hydroxyoctyl)amino]-2-oxo-1-pyridinyl]acetate?
The InChIKey is CGWYPTZPIGNAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-24-17(23)13-19-12-15(8-9-16(19)22)18(14-21)10-6-4-2-3-5-7-11-20/h8-9,12,14,20H,2-7,10-11,13H2,1H3.
What are the key properties of methyl 2-[5-[formyl(8-hydroxyoctyl)amino]-2-oxo-1-pyridinyl]acetate?
methyl 2-[5-[formyl(8-hydroxyoctyl)amino]-2-oxo-1-pyridinyl]acetate has a molecular weight of 338.40 g/mol, XLogP of 1.32, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[formyl(8-hydroxyoctyl)amino]-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 176932525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).