N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1-pyridinyl)propanamide

C13H20N2O3 — CID 65114611

IUPACN-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESCCC(C)(O)CNC(=O)CCn1ccccc1=O
InChIInChI=1S/C13H20N2O3/c1-3-13(2,18)10-14-11(16)7-9-15-8-5-4-6-12(15)17/h4-6,8,18H,3,7,9-10H2,1-2H3,(H,14,16)
InChIKeyXAMVFUQJSQRBRT-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.52
Rot. Bonds6

About N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1-pyridinyl)propanamide

N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 65114611) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID65114611
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESCCC(C)(O)CNC(=O)CCn1ccccc1=O
InChIInChI=1S/C13H20N2O3/c1-3-13(2,18)10-14-11(16)7-9-15-8-5-4-6-12(15)17/h4-6,8,18H,3,7,9-10H2,1-2H3,(H,14,16)
InChIKeyXAMVFUQJSQRBRT-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1-pyridinyl)propanamide (CID 65114611) is N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1-pyridinyl)propanamide is CCC(C)(O)CNC(=O)CCn1ccccc1=O.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is XAMVFUQJSQRBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-13(2,18)10-14-11(16)7-9-15-8-5-4-6-12(15)17/h4-6,8,18H,3,7,9-10H2,1-2H3,(H,14,16).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1-pyridinyl)propanamide?
N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 252.31 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 65114611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).