N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

C18H22N2O3 — CID 111484299

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H22N2O3/c1-12(2)18(3,23)11-19-16(21)14-9-10-15(20-17(14)22)13-7-5-4-6-8-13/h4-10,12,23H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyASRAZULMCHJRGE-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.18
Rot. Bonds5

About N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (PubChem CID 111484299) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
PubChem CID111484299
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESCC(C)C(C)(O)CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H22N2O3/c1-12(2)18(3,23)11-19-16(21)14-9-10-15(20-17(14)22)13-7-5-4-6-8-13/h4-10,12,23H,11H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyASRAZULMCHJRGE-UHFFFAOYSA-N
XLogP2.18
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 111483420
N-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 95633524
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 111482538
N-(2-methyl-2-piperidin-1-ylpropyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55834063
N-(1-amino-2,3-dimethylbutan-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide;hydrochloride
CID 119607556
2-oxo-6-phenyl-1H-pyridine-3-carbohydrazide
CID 82521335
N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484208
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 72873095
N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 129350671
N-[1-(methylamino)-1-oxopropan-2-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 138041610
N-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55756725
6-(4-fluorophenyl)-N-(2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491162

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (CID 111484299) is N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is CC(C)C(C)(O)CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is ASRAZULMCHJRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12(2)18(3,23)11-19-16(21)14-9-10-15(20-17(14)22)13-7-5-4-6-8-13/h4-10,12,23H,11H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 111484299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).