6-[3-(5-methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid

C15H22N2O4 — CID 39150894

IUPAC6-[3-(5-methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid
SMILESCc1ccc(=O)n(CCC(=O)NCCCCCC(=O)O)c1
InChIInChI=1S/C15H22N2O4/c1-12-6-7-14(19)17(11-12)10-8-13(18)16-9-4-2-3-5-15(20)21/h6-7,11H,2-5,8-10H2,1H3,(H,16,18)(H,20,21)
InChIKeyASEBZJBZWSWQLM-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.31
Rot. Bonds9

About 6-[3-(5-methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid

6-[3-(5-methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid (PubChem CID 39150894) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-[3-(5-methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[3-(5-methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid
PubChem CID39150894
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name6-[3-(5-methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid
SMILESCc1ccc(=O)n(CCC(=O)NCCCCCC(=O)O)c1
InChIInChI=1S/C15H22N2O4/c1-12-6-7-14(19)17(11-12)10-8-13(18)16-9-4-2-3-5-15(20)21/h6-7,11H,2-5,8-10H2,1H3,(H,16,18)(H,20,21)
InChIKeyASEBZJBZWSWQLM-UHFFFAOYSA-N
XLogP1.31
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.31
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-[3-(5-methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid?
The IUPAC name of 6-[3-(5-methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid (CID 39150894) is 6-[3-(5-methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid.
What is the SMILES notation for 6-[3-(5-methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid?
The canonical SMILES for 6-[3-(5-methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid is Cc1ccc(=O)n(CCC(=O)NCCCCCC(=O)O)c1.
What is the InChIKey of 6-[3-(5-methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid?
The InChIKey is ASEBZJBZWSWQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-12-6-7-14(19)17(11-12)10-8-13(18)16-9-4-2-3-5-15(20)21/h6-7,11H,2-5,8-10H2,1H3,(H,16,18)(H,20,21).
What are the key properties of 6-[3-(5-methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid?
6-[3-(5-methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(5-methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid is sourced from PubChem (CID 39150894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).