N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]hexanamide

C13H20N2O3 — CID 166633960

IUPACN-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]hexanamide
SMILESCCCCCC(=O)NCc1cc(=O)c(O)cn1C
InChIInChI=1S/C13H20N2O3/c1-3-4-5-6-13(18)14-8-10-7-11(16)12(17)9-15(10)2/h7,9,17H,3-6,8H2,1-2H3,(H,14,18)
InChIKeyUMJBPELYBYJFBJ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.29
Rot. Bonds6

About N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]hexanamide

N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]hexanamide (PubChem CID 166633960) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]hexanamide.

Molecular Properties

Compound NameN-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]hexanamide
PubChem CID166633960
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]hexanamide
SMILESCCCCCC(=O)NCc1cc(=O)c(O)cn1C
InChIInChI=1S/C13H20N2O3/c1-3-4-5-6-13(18)14-8-10-7-11(16)12(17)9-15(10)2/h7,9,17H,3-6,8H2,1-2H3,(H,14,18)
InChIKeyUMJBPELYBYJFBJ-UHFFFAOYSA-N
XLogP1.29
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.29
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 N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]hexanamide?
The IUPAC name of N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]hexanamide (CID 166633960) is N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]hexanamide.
What is the SMILES notation for N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]hexanamide?
The canonical SMILES for N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]hexanamide is CCCCCC(=O)NCc1cc(=O)c(O)cn1C.
What is the InChIKey of N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]hexanamide?
The InChIKey is UMJBPELYBYJFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-4-5-6-13(18)14-8-10-7-11(16)12(17)9-15(10)2/h7,9,17H,3-6,8H2,1-2H3,(H,14,18).
What are the key properties of N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]hexanamide?
N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]hexanamide has a molecular weight of 252.31 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hydroxy-1-methyl-4-oxo-2-pyridinyl)methyl]hexanamide is sourced from PubChem (CID 166633960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).