N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

C18H22N2O3 — CID 111483420

IUPACN-(2-ethyl-2-hydroxybutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H22N2O3/c1-3-18(23,4-2)12-19-16(21)14-10-11-15(20-17(14)22)13-8-6-5-7-9-13/h5-11,23H,3-4,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyZZYZMRFJXPYCHW-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.32
Rot. Bonds6

About N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (PubChem CID 111483420) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
PubChem CID111483420
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H22N2O3/c1-3-18(23,4-2)12-19-16(21)14-10-11-15(20-17(14)22)13-8-6-5-7-9-13/h5-11,23H,3-4,12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyZZYZMRFJXPYCHW-UHFFFAOYSA-N
XLogP2.32
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2,3-dimethylbutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 111484299
N-(2-ethyl-2-hydroxybutyl)-6-methyl-2-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 111825632
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
2-oxo-6-phenyl-1H-pyridine-3-carbohydrazide
CID 82521335
N-(2-cyanoethyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 129350671
N-[(2R,3S)-2-hydroxy-2,3-dimethylpentyl]-6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 95633524
N-(2-ethylphenyl)-2-oxo-6-(4-phenylphenyl)-1H-pyridine-3-carboxamide
CID 66498057
6-(4-methylphenyl)-2-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 66497542
2-oxo-6-phenyl-N-(4-propylphenyl)-1H-pyridine-3-carboxamide
CID 112830494
N-[2-(4-methylphenyl)sulfanylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55756725
N-(4-ethoxyphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497881

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide (CID 111483420) is N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is CCC(O)(CC)CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
The InChIKey is ZZYZMRFJXPYCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-18(23,4-2)12-19-16(21)14-10-11-15(20-17(14)22)13-8-6-5-7-9-13/h5-11,23H,3-4,12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide?
N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide has a molecular weight of 314.38 g/mol, XLogP of 2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 111483420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).