N-(2-hydroxy-2-methylbutyl)-4-oxo-1H-pyridine-3-carboxamide

C11H16N2O3 — CID 103337575

IUPACN-(2-hydroxy-2-methylbutyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCCC(C)(O)CNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C11H16N2O3/c1-3-11(2,16)7-13-10(15)8-6-12-5-4-9(8)14/h4-6,16H,3,7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyBVXJJBPRLDFXMG-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.27
Rot. Bonds4

About N-(2-hydroxy-2-methylbutyl)-4-oxo-1H-pyridine-3-carboxamide

N-(2-hydroxy-2-methylbutyl)-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103337575) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103337575
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-(2-hydroxy-2-methylbutyl)-4-oxo-1H-pyridine-3-carboxamide
SMILESCCC(C)(O)CNC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C11H16N2O3/c1-3-11(2,16)7-13-10(15)8-6-12-5-4-9(8)14/h4-6,16H,3,7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyBVXJJBPRLDFXMG-UHFFFAOYSA-N
XLogP0.27
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-4-oxo-1H-pyridine-3-carboxamide (CID 103337575) is N-(2-hydroxy-2-methylbutyl)-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-4-oxo-1H-pyridine-3-carboxamide is CCC(C)(O)CNC(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BVXJJBPRLDFXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-11(2,16)7-13-10(15)8-6-12-5-4-9(8)14/h4-6,16H,3,7H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-4-oxo-1H-pyridine-3-carboxamide?
N-(2-hydroxy-2-methylbutyl)-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).