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

C11H16N2O3 — CID 45093819

IUPACN-[3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propyl]acetamide
SMILESCC(=O)NCCCn1ccc(=O)c(O)c1C
InChIInChI=1S/C11H16N2O3/c1-8-11(16)10(15)4-7-13(8)6-3-5-12-9(2)14/h4,7,16H,3,5-6H2,1-2H3,(H,12,14)
InChIKeyISXMHOHIKBJDAN-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.39
Rot. Bonds4

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

N-[3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propyl]acetamide (PubChem CID 45093819) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propyl]acetamide
PubChem CID45093819
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-[3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propyl]acetamide
SMILESCC(=O)NCCCn1ccc(=O)c(O)c1C
InChIInChI=1S/C11H16N2O3/c1-8-11(16)10(15)4-7-13(8)6-3-5-12-9(2)14/h4,7,16H,3,5-6H2,1-2H3,(H,12,14)
InChIKeyISXMHOHIKBJDAN-UHFFFAOYSA-N
XLogP0.39
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.39
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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Related Compounds

1-(12-amino-4,9-diazadodecyl)-2-methyl-3-hydroxy-4(1H)-pyridinone
CID 11266903
3-hydroxy-N-[2-(2-methylpropylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride
CID 54737932
N-[(3-hydroxy-1,6-dimethyl-4-oxo-1,4-dihydropyridin-2-yl)methyl]propanamide
CID 10263040
2-ethyl-3-hydroxypyridin-4(1H)-one
CID 10975567
3-(3-Hydroxy-2-methyl-4-oxo-1(4H)-pyridinyl)-N-propylpropanamide
CID 13336721
3-hydroxy-N-[2-(methylamino)-2-oxoethyl]-4-oxo-1H-pyridine-2-carboxamide;hydrochloride
CID 54737736
N-[(3-Hydroxy-1,6-dimethyl-4-oxo-1,4-dihydro-2-pyridinyl)methyl]acetamide
CID 10081839
3-(Acetylamino)-N-[(1,4-dihydro-3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]propanamide
CID 10468916
1(4H)-Pyridinebutanamide, 3-hydroxy-N,2-dimethyl-4-oxo-
CID 10609176
N-Ethyl-3-hydroxy-2-methyl-4-oxo-1(4H)-pyridinepropanamide
CID 14956315
3-(3-Hydroxy-2-methyl-4-oxo-1(4H)-pyridinyl)-N-isopropylpropanamide
CID 14956316
N-Butyl-3-(3-hydroxy-2-methyl-4-oxopyridin-1(4H)-yl)propanamide
CID 14956317

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propyl]acetamide?
The IUPAC name of N-[3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propyl]acetamide (CID 45093819) is N-[3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propyl]acetamide.
What is the SMILES notation for N-[3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propyl]acetamide?
The canonical SMILES for N-[3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propyl]acetamide is CC(=O)NCCCn1ccc(=O)c(O)c1C.
What is the InChIKey of N-[3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propyl]acetamide?
The InChIKey is ISXMHOHIKBJDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-11(16)10(15)4-7-13(8)6-3-5-12-9(2)14/h4,7,16H,3,5-6H2,1-2H3,(H,12,14).
What are the key properties of N-[3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propyl]acetamide?
N-[3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propyl]acetamide has a molecular weight of 224.26 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)propyl]acetamide is sourced from PubChem (CID 45093819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).