6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid

C14H20N2O4 — CID 43352908

IUPAC6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
SMILESCc1cc(C)c(C(=O)NCCCCCC(=O)O)c(=O)[nH]1
InChIInChI=1S/C14H20N2O4/c1-9-8-10(2)16-14(20)12(9)13(19)15-7-5-3-4-6-11(17)18/h8H,3-7H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyLZTPSSINVZOEDI-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.37
Rot. Bonds7

About 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid

6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid (PubChem CID 43352908) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
PubChem CID43352908
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
SMILESCc1cc(C)c(C(=O)NCCCCCC(=O)O)c(=O)[nH]1
InChIInChI=1S/C14H20N2O4/c1-9-8-10(2)16-14(20)12(9)13(19)15-7-5-3-4-6-11(17)18/h8H,3-7H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyLZTPSSINVZOEDI-UHFFFAOYSA-N
XLogP1.37
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid (CID 43352908) is 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid is Cc1cc(C)c(C(=O)NCCCCCC(=O)O)c(=O)[nH]1.
What is the InChIKey of 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
The InChIKey is LZTPSSINVZOEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-8-10(2)16-14(20)12(9)13(19)15-7-5-3-4-6-11(17)18/h8H,3-7H2,1-2H3,(H,15,19)(H,16,20)(H,17,18).
What are the key properties of 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 43352908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).