6-[4-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]hexanoic acid

C16H24N2O4 — CID 39150953

IUPAC6-[4-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]hexanoic acid
SMILESCc1ccn(CCCC(=O)NCCCCCC(=O)O)c(=O)c1
InChIInChI=1S/C16H24N2O4/c1-13-8-11-18(15(20)12-13)10-5-6-14(19)17-9-4-2-3-7-16(21)22/h8,11-12H,2-7,9-10H2,1H3,(H,17,19)(H,21,22)
InChIKeyWOZBKTJGXQCJCD-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.70
Rot. Bonds10

About 6-[4-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]hexanoic acid

6-[4-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]hexanoic acid (PubChem CID 39150953) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-[4-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[4-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]hexanoic acid
PubChem CID39150953
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name6-[4-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]hexanoic acid
SMILESCc1ccn(CCCC(=O)NCCCCCC(=O)O)c(=O)c1
InChIInChI=1S/C16H24N2O4/c1-13-8-11-18(15(20)12-13)10-5-6-14(19)17-9-4-2-3-7-16(21)22/h8,11-12H,2-7,9-10H2,1H3,(H,17,19)(H,21,22)
InChIKeyWOZBKTJGXQCJCD-UHFFFAOYSA-N
XLogP1.70
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.70
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-[4-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]hexanoic acid?
The IUPAC name of 6-[4-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]hexanoic acid (CID 39150953) is 6-[4-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]hexanoic acid.
What is the SMILES notation for 6-[4-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]hexanoic acid?
The canonical SMILES for 6-[4-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]hexanoic acid is Cc1ccn(CCCC(=O)NCCCCCC(=O)O)c(=O)c1.
What is the InChIKey of 6-[4-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]hexanoic acid?
The InChIKey is WOZBKTJGXQCJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-13-8-11-18(15(20)12-13)10-5-6-14(19)17-9-4-2-3-7-16(21)22/h8,11-12H,2-7,9-10H2,1H3,(H,17,19)(H,21,22).
What are the key properties of 6-[4-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]hexanoic acid?
6-[4-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]hexanoic acid has a molecular weight of 308.38 g/mol, XLogP of 1.70, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]hexanoic acid is sourced from PubChem (CID 39150953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).