N-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide

C13H20N2O3 — CID 111460901

IUPACN-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide
SMILESCC(C)C(O)CCNC(=O)Cn1ccccc1=O
InChIInChI=1S/C13H20N2O3/c1-10(2)11(16)6-7-14-12(17)9-15-8-4-3-5-13(15)18/h3-5,8,10-11,16H,6-7,9H2,1-2H3,(H,14,17)
InChIKeyMAFMEEWIXKJOGU-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.37
Rot. Bonds6

About N-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide

N-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 111460901) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID111460901
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide
SMILESCC(C)C(O)CCNC(=O)Cn1ccccc1=O
InChIInChI=1S/C13H20N2O3/c1-10(2)11(16)6-7-14-12(17)9-15-8-4-3-5-13(15)18/h3-5,8,10-11,16H,6-7,9H2,1-2H3,(H,14,17)
InChIKeyMAFMEEWIXKJOGU-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 109381290
N-(3-ethyl-2-hydroxypentyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 111115969
N-(3-methoxypropyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 46418575
N-(2-methyl-4-oxopentan-3-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 62018645
N-[2-(2-methylphenyl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51177305
N-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 51725576
N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1-pyridinyl)acetamide
CID 120507247
2-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 80539147
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 47036197
N-(3-hydroxy-4-methylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 111662196
N-(1-methoxypropan-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 51174931
1-(3-hydroxybutyl)-3-[4-(2-oxo-1-pyridinyl)butyl]urea
CID 111338596

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide (CID 111460901) is N-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide is CC(C)C(O)CCNC(=O)Cn1ccccc1=O.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is MAFMEEWIXKJOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(2)11(16)6-7-14-12(17)9-15-8-4-3-5-13(15)18/h3-5,8,10-11,16H,6-7,9H2,1-2H3,(H,14,17).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide?
N-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 252.31 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 111460901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).