N-[2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]acetamide

C12H18N2O4 — CID 23338632

IUPACN-[2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]acetamide
SMILESCOCCCn1c(O)c(NC(C)=O)c(C)cc1=O
InChIInChI=1S/C12H18N2O4/c1-8-7-10(16)14(5-4-6-18-3)12(17)11(8)13-9(2)15/h7,17H,4-6H2,1-3H3,(H,13,15)
InChIKeyVAQAQUOYMBQANI-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.86
Rot. Bonds5

About N-[2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]acetamide

N-[2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]acetamide (PubChem CID 23338632) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]acetamide
PubChem CID23338632
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-[2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]acetamide
SMILESCOCCCn1c(O)c(NC(C)=O)c(C)cc1=O
InChIInChI=1S/C12H18N2O4/c1-8-7-10(16)14(5-4-6-18-3)12(17)11(8)13-9(2)15/h7,17H,4-6H2,1-3H3,(H,13,15)
InChIKeyVAQAQUOYMBQANI-UHFFFAOYSA-N
XLogP0.86
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]acetamide?
The IUPAC name of N-[2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]acetamide (CID 23338632) is N-[2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]acetamide?
The canonical SMILES for N-[2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]acetamide is COCCCn1c(O)c(NC(C)=O)c(C)cc1=O.
What is the InChIKey of N-[2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]acetamide?
The InChIKey is VAQAQUOYMBQANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-8-7-10(16)14(5-4-6-18-3)12(17)11(8)13-9(2)15/h7,17H,4-6H2,1-3H3,(H,13,15).
What are the key properties of N-[2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]acetamide?
N-[2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]acetamide has a molecular weight of 254.29 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridinyl]acetamide is sourced from PubChem (CID 23338632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).