6-[5-(4-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid

C17H26N2O4 — CID 39150976

IUPAC6-[5-(4-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid
SMILESCc1ccn(CCCCC(=O)NCCCCCC(=O)O)c(=O)c1
InChIInChI=1S/C17H26N2O4/c1-14-9-12-19(16(21)13-14)11-6-4-7-15(20)18-10-5-2-3-8-17(22)23/h9,12-13H,2-8,10-11H2,1H3,(H,18,20)(H,22,23)
InChIKeyIMVIKVDCSCUKDR-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.09
Rot. Bonds11

About 6-[5-(4-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid

6-[5-(4-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid (PubChem CID 39150976) has the molecular formula C17H26N2O4 and a molecular weight of 322.40 g/mol. Its IUPAC name is 6-[5-(4-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[5-(4-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid
PubChem CID39150976
Molecular FormulaC17H26N2O4
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name6-[5-(4-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid
SMILESCc1ccn(CCCCC(=O)NCCCCCC(=O)O)c(=O)c1
InChIInChI=1S/C17H26N2O4/c1-14-9-12-19(16(21)13-14)11-6-4-7-15(20)18-10-5-2-3-8-17(22)23/h9,12-13H,2-8,10-11H2,1H3,(H,18,20)(H,22,23)
InChIKeyIMVIKVDCSCUKDR-UHFFFAOYSA-N
XLogP2.09
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.09
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-[5-(4-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid?
The IUPAC name of 6-[5-(4-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid (CID 39150976) is 6-[5-(4-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid.
What is the SMILES notation for 6-[5-(4-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid?
The canonical SMILES for 6-[5-(4-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid is Cc1ccn(CCCCC(=O)NCCCCCC(=O)O)c(=O)c1.
What is the InChIKey of 6-[5-(4-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid?
The InChIKey is IMVIKVDCSCUKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-14-9-12-19(16(21)13-14)11-6-4-7-15(20)18-10-5-2-3-8-17(22)23/h9,12-13H,2-8,10-11H2,1H3,(H,18,20)(H,22,23).
What are the key properties of 6-[5-(4-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid?
6-[5-(4-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid has a molecular weight of 322.40 g/mol, XLogP of 2.09, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid is sourced from PubChem (CID 39150976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).