methyl 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoate

C14H20N2O4 — CID 43423625

IUPACmethyl 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C14H20N2O4/c1-16-9-7-11(10-12(16)17)14(19)15-8-5-3-4-6-13(18)20-2/h7,9-10H,3-6,8H2,1-2H3,(H,15,19)
InChIKeyXYXSFKLFSAGTLG-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.85
Rot. Bonds7

About methyl 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoate

methyl 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoate (PubChem CID 43423625) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoate.

Molecular Properties

Compound Namemethyl 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoate
PubChem CID43423625
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoate
SMILESCOC(=O)CCCCCNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C14H20N2O4/c1-16-9-7-11(10-12(16)17)14(19)15-8-5-3-4-6-13(18)20-2/h7,9-10H,3-6,8H2,1-2H3,(H,15,19)
InChIKeyXYXSFKLFSAGTLG-UHFFFAOYSA-N
XLogP0.85
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoate?
The IUPAC name of methyl 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoate (CID 43423625) is methyl 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoate.
What is the SMILES notation for methyl 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoate?
The canonical SMILES for methyl 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoate is COC(=O)CCCCCNC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of methyl 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoate?
The InChIKey is XYXSFKLFSAGTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-16-9-7-11(10-12(16)17)14(19)15-8-5-3-4-6-13(18)20-2/h7,9-10H,3-6,8H2,1-2H3,(H,15,19).
What are the key properties of methyl 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoate?
methyl 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoate has a molecular weight of 280.32 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoate is sourced from PubChem (CID 43423625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).