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

C13H18N2O4 — CID 43352952

IUPAC6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid
SMILESCn1ccc(C(=O)NCCCCCC(=O)O)cc1=O
InChIInChI=1S/C13H18N2O4/c1-15-8-6-10(9-11(15)16)13(19)14-7-4-2-3-5-12(17)18/h6,8-9H,2-5,7H2,1H3,(H,14,19)(H,17,18)
InChIKeyLXENZIJIOSNESP-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.76
Rot. Bonds7

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

6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid (PubChem CID 43352952) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid
PubChem CID43352952
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid
SMILESCn1ccc(C(=O)NCCCCCC(=O)O)cc1=O
InChIInChI=1S/C13H18N2O4/c1-15-8-6-10(9-11(15)16)13(19)14-7-4-2-3-5-12(17)18/h6,8-9H,2-5,7H2,1H3,(H,14,19)(H,17,18)
InChIKeyLXENZIJIOSNESP-UHFFFAOYSA-N
XLogP0.76
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.76
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 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid (CID 43352952) is 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid is Cn1ccc(C(=O)NCCCCCC(=O)O)cc1=O.
What is the InChIKey of 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid?
The InChIKey is LXENZIJIOSNESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-15-8-6-10(9-11(15)16)13(19)14-7-4-2-3-5-12(17)18/h6,8-9H,2-5,7H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid?
6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43352952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).