methyl 6-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]hexanoate

C14H20N2O4 — CID 103717363

IUPACmethyl 6-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C14H20N2O4/c1-10-8-12(17)11(9-16-10)14(19)15-7-5-3-4-6-13(18)20-2/h8-9H,3-7H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyHYIWBSGYPXFUMV-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.15
Rot. Bonds7

About methyl 6-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]hexanoate

methyl 6-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]hexanoate (PubChem CID 103717363) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 6-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
PubChem CID103717363
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 6-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C14H20N2O4/c1-10-8-12(17)11(9-16-10)14(19)15-7-5-3-4-6-13(18)20-2/h8-9H,3-7H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyHYIWBSGYPXFUMV-UHFFFAOYSA-N
XLogP1.15
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 methyl 6-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]hexanoate?
The IUPAC name of methyl 6-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]hexanoate (CID 103717363) is methyl 6-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of methyl 6-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]hexanoate?
The InChIKey is HYIWBSGYPXFUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-8-12(17)11(9-16-10)14(19)15-7-5-3-4-6-13(18)20-2/h8-9H,3-7H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of methyl 6-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]hexanoate?
methyl 6-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]hexanoate has a molecular weight of 280.32 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(6-methyl-4-oxo-1H-pyridine-3-carbonyl)amino]hexanoate is sourced from PubChem (CID 103717363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).